USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 713 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 45 LYS NZ :NH3+ -170:sc= 1.49 (180deg=1.36) USER MOD Set 1.2: A 59 MET CE :methyl -152:sc= -0.167 (180deg=-2.01!) USER MOD Set 2.1: A 39 LYS NZ :NH3+ -145:sc= 2.32 (180deg=0.751) USER MOD Set 2.2: A 41 THR OG1 : rot -28:sc= 1.71 USER MOD Single : A 21 TYR OH : rot 10:sc= 0.802 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 2.85 (180deg=2.85) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 1.08 (180deg=0.99) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.0107 F(o=-0.56,f=-0.011) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0482 USER MOD Single : A 35 HIS : no HD1:sc= -0.791 K(o=-0.79,f=-2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 151:sc= -0.147 (180deg=-0.668) USER MOD Single : A 42 THR OG1 : rot -40:sc= 0.598 USER MOD Single : A 43 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-6.2!) USER MOD Single : A 46 LYS NZ :NH3+ -123:sc= 1.73 (180deg=-0.8) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 2.32 (180deg=1.77) USER MOD Single : A 50 SER OG : rot 101:sc= 1.26 USER MOD Single : A 51 TYR OH : rot -130:sc= -0.305 USER MOD Single : A 52 CYS SG : rot 74:sc= -1.06! USER MOD Single : A 53 GLN : amide:sc= -1.92! C(o=-1.9!,f=-4.6!) USER MOD Single : A 55 GLN : amide:sc= -0.0782 K(o=-0.078,f=-0.61) USER MOD Single : A 60 ASN : amide:sc= -0.0556 X(o=-0.056,f=0) USER MOD Single : A 61 SER OG : rot -109:sc= 1.2 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 74 ASN : amide:sc= 0.105 K(o=0.1,f=-3.2!) USER MOD Single : A 75 HIS : no HD1:sc= -0.346 K(o=-0.35,f=-7.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0157 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -178:sc= 0 (180deg=-0.0047) USER MOD Single : A 91 TYR OH : rot -166:sc= 1.09 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.0458 K(o=-0.046,f=-1.2!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0057 USER MOD Single : B 357 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.075) USER MOD Single : B 358 ASN : amide:sc= -0.156 K(o=-0.16,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 2.847 6.164 9.686 1.00 10.00 N ATOM 2 CA TYR A 21 3.037 5.110 8.666 1.00 10.00 C ATOM 3 C TYR A 21 1.698 4.502 8.271 1.00 10.00 C ATOM 4 O TYR A 21 0.840 4.265 9.121 1.00 10.00 O ATOM 5 CB TYR A 21 3.970 4.017 9.195 1.00 10.00 C ATOM 6 CG TYR A 21 5.400 4.143 8.713 1.00 10.00 C ATOM 7 CD1 TYR A 21 5.845 3.423 7.611 1.00 10.00 C ATOM 8 CD2 TYR A 21 6.306 4.971 9.361 1.00 10.00 C ATOM 9 CE1 TYR A 21 7.147 3.525 7.167 1.00 10.00 C ATOM 10 CE2 TYR A 21 7.612 5.082 8.923 1.00 10.00 C ATOM 11 CZ TYR A 21 8.028 4.356 7.826 1.00 10.00 C ATOM 12 OH TYR A 21 9.330 4.459 7.390 1.00 10.00 O ATOM 0 HA TYR A 21 3.490 5.565 7.785 1.00 10.00 H new ATOM 0 HB2 TYR A 21 3.961 4.042 10.285 1.00 10.00 H new ATOM 0 HB3 TYR A 21 3.580 3.044 8.895 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.158 2.771 7.092 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.985 5.538 10.222 1.00 10.00 H new ATOM 0 HE1 TYR A 21 7.474 2.957 6.308 1.00 10.00 H new ATOM 0 HE2 TYR A 21 8.303 5.734 9.437 1.00 10.00 H new ATOM 0 HH TYR A 21 9.420 4.015 6.521 1.00 10.00 H new ATOM 22 N ILE A 22 1.526 4.260 6.983 1.00 10.00 N ATOM 23 CA ILE A 22 0.297 3.681 6.464 1.00 10.00 C ATOM 24 C ILE A 22 0.533 2.225 6.086 1.00 10.00 C ATOM 25 O ILE A 22 1.459 1.920 5.335 1.00 10.00 O ATOM 26 CB ILE A 22 -0.209 4.449 5.223 1.00 10.00 C ATOM 27 CG1 ILE A 22 -0.334 5.948 5.521 1.00 10.00 C ATOM 28 CG2 ILE A 22 -1.540 3.885 4.745 1.00 10.00 C ATOM 29 CD1 ILE A 22 -1.389 6.288 6.557 1.00 10.00 C ATOM 0 H ILE A 22 2.229 4.457 6.271 1.00 10.00 H new ATOM 0 HA ILE A 22 -0.460 3.750 7.246 1.00 10.00 H new ATOM 0 HB ILE A 22 0.523 4.321 4.426 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.631 6.321 5.865 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.567 6.473 4.595 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -1.878 4.441 3.870 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -1.417 2.834 4.482 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -2.280 3.975 5.540 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -1.414 7.367 6.710 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -2.364 5.948 6.208 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -1.148 5.793 7.498 1.00 10.00 H new ATOM 41 N LYS A 23 -0.292 1.334 6.611 1.00 10.00 N ATOM 42 CA LYS A 23 -0.160 -0.083 6.325 1.00 10.00 C ATOM 43 C LYS A 23 -1.158 -0.508 5.251 1.00 10.00 C ATOM 44 O LYS A 23 -2.332 -0.765 5.537 1.00 10.00 O ATOM 45 CB LYS A 23 -0.371 -0.896 7.602 1.00 10.00 C ATOM 46 CG LYS A 23 -0.189 -2.392 7.420 1.00 10.00 C ATOM 47 CD LYS A 23 -0.872 -3.166 8.534 1.00 10.00 C ATOM 48 CE LYS A 23 -2.262 -3.633 8.127 1.00 10.00 C ATOM 49 NZ LYS A 23 -3.107 -2.523 7.611 1.00 10.00 N ATOM 0 H LYS A 23 -1.061 1.569 7.238 1.00 10.00 H new ATOM 0 HA LYS A 23 0.846 -0.272 5.950 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.327 -0.546 8.363 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.376 -0.706 7.979 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.599 -2.697 6.457 1.00 10.00 H new ATOM 0 HG3 LYS A 23 0.874 -2.633 7.405 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -0.263 -4.029 8.804 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -0.945 -2.538 9.422 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.173 -4.404 7.362 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.754 -4.091 8.985 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.043 -2.893 7.348 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -3.216 -1.798 8.349 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.654 -2.101 6.775 1.00 10.00 H new ATOM 63 N LEU A 24 -0.686 -0.577 4.015 1.00 10.00 N ATOM 64 CA LEU A 24 -1.529 -0.965 2.892 1.00 10.00 C ATOM 65 C LEU A 24 -1.588 -2.482 2.774 1.00 10.00 C ATOM 66 O LEU A 24 -0.604 -3.170 3.048 1.00 10.00 O ATOM 67 CB LEU A 24 -0.989 -0.366 1.590 1.00 10.00 C ATOM 68 CG LEU A 24 -0.889 1.162 1.564 1.00 10.00 C ATOM 69 CD1 LEU A 24 -0.148 1.622 0.320 1.00 10.00 C ATOM 70 CD2 LEU A 24 -2.274 1.789 1.617 1.00 10.00 C ATOM 0 H LEU A 24 0.280 -0.369 3.763 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.535 -0.583 3.069 1.00 10.00 H new ATOM 0 HB2 LEU A 24 0.001 -0.782 1.401 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -1.631 -0.686 0.769 1.00 10.00 H new ATOM 0 HG LEU A 24 -0.330 1.486 2.442 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.085 2.710 0.316 1.00 10.00 H new ATOM 0 HD12 LEU A 24 0.857 1.200 0.318 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -0.684 1.286 -0.568 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -2.183 2.875 1.598 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -2.856 1.458 0.757 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -2.777 1.483 2.535 1.00 10.00 H new ATOM 82 N LYS A 25 -2.741 -2.996 2.371 1.00 10.00 N ATOM 83 CA LYS A 25 -2.918 -4.430 2.214 1.00 10.00 C ATOM 84 C LYS A 25 -2.855 -4.822 0.745 1.00 10.00 C ATOM 85 O LYS A 25 -3.768 -4.526 -0.030 1.00 10.00 O ATOM 86 CB LYS A 25 -4.252 -4.887 2.810 1.00 10.00 C ATOM 87 CG LYS A 25 -4.243 -5.000 4.326 1.00 10.00 C ATOM 88 CD LYS A 25 -5.430 -5.810 4.827 1.00 10.00 C ATOM 89 CE LYS A 25 -5.203 -7.305 4.648 1.00 10.00 C ATOM 90 NZ LYS A 25 -6.440 -8.093 4.895 1.00 10.00 N ATOM 0 H LYS A 25 -3.567 -2.441 2.147 1.00 10.00 H new ATOM 0 HA LYS A 25 -2.107 -4.923 2.750 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -5.031 -4.185 2.512 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -4.516 -5.855 2.385 1.00 10.00 H new ATOM 0 HG2 LYS A 25 -3.315 -5.470 4.652 1.00 10.00 H new ATOM 0 HG3 LYS A 25 -4.268 -4.004 4.767 1.00 10.00 H new ATOM 0 HD2 LYS A 25 -5.602 -5.591 5.881 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -6.329 -5.511 4.288 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -4.847 -7.498 3.636 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -4.420 -7.637 5.330 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -6.205 -9.106 4.930 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -6.861 -7.804 5.801 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -7.120 -7.921 4.127 1.00 10.00 H new ATOM 104 N VAL A 26 -1.764 -5.466 0.368 1.00 10.00 N ATOM 105 CA VAL A 26 -1.584 -5.921 -0.999 1.00 10.00 C ATOM 106 C VAL A 26 -2.121 -7.336 -1.126 1.00 10.00 C ATOM 107 O VAL A 26 -1.688 -8.235 -0.401 1.00 10.00 O ATOM 108 CB VAL A 26 -0.101 -5.896 -1.435 1.00 10.00 C ATOM 109 CG1 VAL A 26 0.011 -5.937 -2.954 1.00 10.00 C ATOM 110 CG2 VAL A 26 0.612 -4.673 -0.871 1.00 10.00 C ATOM 0 H VAL A 26 -0.987 -5.686 0.992 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.130 -5.239 -1.651 1.00 10.00 H new ATOM 0 HB VAL A 26 0.387 -6.783 -1.032 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.062 -5.919 -3.242 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -0.452 -6.850 -3.328 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -0.497 -5.072 -3.380 1.00 10.00 H new ATOM 0 HG21 VAL A 26 1.654 -4.679 -1.192 1.00 10.00 H new ATOM 0 HG22 VAL A 26 0.125 -3.768 -1.235 1.00 10.00 H new ATOM 0 HG23 VAL A 26 0.568 -4.696 0.218 1.00 10.00 H new ATOM 120 N ILE A 27 -3.073 -7.534 -2.021 1.00 10.00 N ATOM 121 CA ILE A 27 -3.669 -8.847 -2.208 1.00 10.00 C ATOM 122 C ILE A 27 -2.928 -9.640 -3.277 1.00 10.00 C ATOM 123 O ILE A 27 -3.003 -9.324 -4.467 1.00 10.00 O ATOM 124 CB ILE A 27 -5.159 -8.743 -2.596 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.914 -7.843 -1.609 1.00 10.00 C ATOM 126 CG2 ILE A 27 -5.791 -10.129 -2.648 1.00 10.00 C ATOM 127 CD1 ILE A 27 -5.856 -8.319 -0.169 1.00 10.00 C ATOM 0 H ILE A 27 -3.449 -6.806 -2.628 1.00 10.00 H new ATOM 0 HA ILE A 27 -3.589 -9.368 -1.254 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.227 -8.294 -3.587 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -5.502 -6.835 -1.664 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -6.957 -7.778 -1.918 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -6.842 -10.040 -2.923 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -5.273 -10.738 -3.389 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -5.711 -10.602 -1.669 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -6.413 -7.629 0.465 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -6.295 -9.314 -0.097 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.818 -8.356 0.160 1.00 10.00 H new ATOM 139 N GLY A 28 -2.198 -10.658 -2.839 1.00 10.00 N ATOM 140 CA GLY A 28 -1.464 -11.500 -3.759 1.00 10.00 C ATOM 141 C GLY A 28 -2.378 -12.466 -4.489 1.00 10.00 C ATOM 142 O GLY A 28 -3.464 -12.787 -4.004 1.00 10.00 O ATOM 0 H GLY A 28 -2.102 -10.915 -1.857 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -0.940 -10.877 -4.484 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -0.705 -12.060 -3.213 1.00 10.00 H new ATOM 146 N GLN A 29 -1.926 -12.953 -5.640 1.00 10.00 N ATOM 147 CA GLN A 29 -2.717 -13.875 -6.454 1.00 10.00 C ATOM 148 C GLN A 29 -2.972 -15.194 -5.722 1.00 10.00 C ATOM 149 O GLN A 29 -3.924 -15.908 -6.031 1.00 10.00 O ATOM 150 CB GLN A 29 -2.007 -14.139 -7.785 1.00 10.00 C ATOM 151 CG GLN A 29 -2.941 -14.565 -8.910 1.00 10.00 C ATOM 152 CD GLN A 29 -3.918 -13.474 -9.309 1.00 10.00 C ATOM 153 OE1 GLN A 29 -5.082 -13.466 -8.682 1.00 10.00 O flip ATOM 154 NE2 GLN A 29 -3.629 -12.649 -10.178 1.00 10.00 N flip ATOM 0 H GLN A 29 -1.013 -12.725 -6.033 1.00 10.00 H new ATOM 0 HA GLN A 29 -3.684 -13.409 -6.646 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -1.478 -13.236 -8.088 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -1.255 -14.915 -7.637 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -2.349 -14.851 -9.779 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -3.498 -15.449 -8.599 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -2.719 -12.690 -10.638 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -4.299 -11.925 -10.437 1.00 10.00 H new ATOM 163 N ASP A 30 -2.129 -15.507 -4.743 1.00 10.00 N ATOM 164 CA ASP A 30 -2.268 -16.744 -3.976 1.00 10.00 C ATOM 165 C ASP A 30 -2.869 -16.480 -2.594 1.00 10.00 C ATOM 166 O ASP A 30 -2.603 -17.214 -1.639 1.00 10.00 O ATOM 167 CB ASP A 30 -0.915 -17.454 -3.842 1.00 10.00 C ATOM 168 CG ASP A 30 0.165 -16.566 -3.260 1.00 10.00 C ATOM 169 OD1 ASP A 30 0.517 -15.554 -3.902 1.00 10.00 O ATOM 170 OD2 ASP A 30 0.684 -16.884 -2.170 1.00 10.00 O ATOM 0 H ASP A 30 -1.342 -14.923 -4.461 1.00 10.00 H new ATOM 0 HA ASP A 30 -2.952 -17.394 -4.521 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -1.034 -18.334 -3.210 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -0.598 -17.807 -4.823 1.00 10.00 H new ATOM 175 N SER A 31 -3.680 -15.424 -2.508 1.00 10.00 N ATOM 176 CA SER A 31 -4.369 -15.044 -1.269 1.00 10.00 C ATOM 177 C SER A 31 -3.393 -14.603 -0.175 1.00 10.00 C ATOM 178 O SER A 31 -3.682 -14.735 1.016 1.00 10.00 O ATOM 179 CB SER A 31 -5.238 -16.201 -0.759 1.00 10.00 C ATOM 180 OG SER A 31 -5.954 -16.818 -1.819 1.00 10.00 O ATOM 0 H SER A 31 -3.879 -14.806 -3.295 1.00 10.00 H new ATOM 0 HA SER A 31 -5.005 -14.191 -1.508 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.608 -16.941 -0.265 1.00 10.00 H new ATOM 0 HB3 SER A 31 -5.939 -15.829 -0.012 1.00 10.00 H new ATOM 0 HG SER A 31 -6.497 -17.552 -1.463 1.00 10.00 H new ATOM 186 N SER A 32 -2.244 -14.086 -0.576 1.00 10.00 N ATOM 187 CA SER A 32 -1.243 -13.612 0.369 1.00 10.00 C ATOM 188 C SER A 32 -1.499 -12.144 0.690 1.00 10.00 C ATOM 189 O SER A 32 -1.604 -11.315 -0.214 1.00 10.00 O ATOM 190 CB SER A 32 0.151 -13.795 -0.229 1.00 10.00 C ATOM 191 OG SER A 32 0.077 -13.867 -1.644 1.00 10.00 O ATOM 0 H SER A 32 -1.979 -13.983 -1.555 1.00 10.00 H new ATOM 0 HA SER A 32 -1.306 -14.188 1.292 1.00 10.00 H new ATOM 0 HB2 SER A 32 0.792 -12.964 0.066 1.00 10.00 H new ATOM 0 HB3 SER A 32 0.606 -14.704 0.164 1.00 10.00 H new ATOM 0 HG SER A 32 0.977 -13.983 -2.013 1.00 10.00 H new ATOM 197 N GLU A 33 -1.619 -11.828 1.966 1.00 10.00 N ATOM 198 CA GLU A 33 -1.879 -10.460 2.380 1.00 10.00 C ATOM 199 C GLU A 33 -0.583 -9.765 2.782 1.00 10.00 C ATOM 200 O GLU A 33 -0.052 -9.986 3.871 1.00 10.00 O ATOM 201 CB GLU A 33 -2.888 -10.450 3.527 1.00 10.00 C ATOM 202 CG GLU A 33 -4.072 -11.375 3.284 1.00 10.00 C ATOM 203 CD GLU A 33 -4.837 -11.696 4.547 1.00 10.00 C ATOM 204 OE1 GLU A 33 -5.623 -10.836 5.000 1.00 10.00 O ATOM 205 OE2 GLU A 33 -4.673 -12.817 5.081 1.00 10.00 O ATOM 0 H GLU A 33 -1.541 -12.497 2.732 1.00 10.00 H new ATOM 0 HA GLU A 33 -2.303 -9.909 1.541 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -2.386 -10.746 4.448 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -3.252 -9.433 3.675 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.747 -10.911 2.564 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -3.716 -12.302 2.835 1.00 10.00 H new ATOM 212 N ILE A 34 -0.075 -8.926 1.894 1.00 10.00 N ATOM 213 CA ILE A 34 1.167 -8.212 2.149 1.00 10.00 C ATOM 214 C ILE A 34 0.887 -6.883 2.840 1.00 10.00 C ATOM 215 O ILE A 34 0.040 -6.108 2.391 1.00 10.00 O ATOM 216 CB ILE A 34 1.967 -7.944 0.852 1.00 10.00 C ATOM 217 CG1 ILE A 34 1.759 -9.071 -0.171 1.00 10.00 C ATOM 218 CG2 ILE A 34 3.447 -7.778 1.171 1.00 10.00 C ATOM 219 CD1 ILE A 34 2.349 -10.402 0.238 1.00 10.00 C ATOM 0 H ILE A 34 -0.503 -8.722 0.991 1.00 10.00 H new ATOM 0 HA ILE A 34 1.767 -8.852 2.795 1.00 10.00 H new ATOM 0 HB ILE A 34 1.597 -7.019 0.409 1.00 10.00 H new ATOM 0 HG12 ILE A 34 0.690 -9.198 -0.341 1.00 10.00 H new ATOM 0 HG13 ILE A 34 2.199 -8.769 -1.121 1.00 10.00 H new ATOM 0 HG21 ILE A 34 3.999 -7.590 0.250 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.580 -6.937 1.852 1.00 10.00 H new ATOM 0 HG23 ILE A 34 3.822 -8.688 1.640 1.00 10.00 H new ATOM 0 HD11 ILE A 34 2.157 -11.140 -0.541 1.00 10.00 H new ATOM 0 HD12 ILE A 34 3.425 -10.295 0.379 1.00 10.00 H new ATOM 0 HD13 ILE A 34 1.892 -10.731 1.171 1.00 10.00 H new ATOM 231 N HIS A 35 1.592 -6.631 3.930 1.00 10.00 N ATOM 232 CA HIS A 35 1.426 -5.402 4.689 1.00 10.00 C ATOM 233 C HIS A 35 2.589 -4.462 4.397 1.00 10.00 C ATOM 234 O HIS A 35 3.657 -4.562 5.011 1.00 10.00 O ATOM 235 CB HIS A 35 1.367 -5.693 6.194 1.00 10.00 C ATOM 236 CG HIS A 35 0.163 -6.477 6.635 1.00 10.00 C ATOM 237 ND1 HIS A 35 -0.320 -6.376 7.916 1.00 10.00 N ATOM 238 CD2 HIS A 35 -0.597 -7.367 5.949 1.00 10.00 C ATOM 239 CE1 HIS A 35 -1.348 -7.199 7.983 1.00 10.00 C ATOM 240 NE2 HIS A 35 -1.556 -7.822 6.816 1.00 10.00 N ATOM 0 H HIS A 35 2.291 -7.268 4.312 1.00 10.00 H new ATOM 0 HA HIS A 35 0.488 -4.935 4.390 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.265 -6.241 6.480 1.00 10.00 H new ATOM 0 HB3 HIS A 35 1.385 -4.747 6.734 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -0.471 -7.661 4.917 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -1.947 -7.352 8.868 1.00 10.00 H new ATOM 0 HE2 HIS A 35 -2.287 -8.503 6.612 1.00 10.00 H new ATOM 248 N PHE A 36 2.391 -3.562 3.451 1.00 10.00 N ATOM 249 CA PHE A 36 3.433 -2.620 3.087 1.00 10.00 C ATOM 250 C PHE A 36 3.308 -1.349 3.910 1.00 10.00 C ATOM 251 O PHE A 36 2.310 -0.631 3.816 1.00 10.00 O ATOM 252 CB PHE A 36 3.375 -2.287 1.596 1.00 10.00 C ATOM 253 CG PHE A 36 4.735 -2.206 0.955 1.00 10.00 C ATOM 254 CD1 PHE A 36 5.792 -1.599 1.616 1.00 10.00 C ATOM 255 CD2 PHE A 36 4.957 -2.741 -0.301 1.00 10.00 C ATOM 256 CE1 PHE A 36 7.044 -1.529 1.038 1.00 10.00 C ATOM 257 CE2 PHE A 36 6.209 -2.673 -0.887 1.00 10.00 C ATOM 258 CZ PHE A 36 7.252 -2.066 -0.218 1.00 10.00 C ATOM 0 H PHE A 36 1.523 -3.464 2.924 1.00 10.00 H new ATOM 0 HA PHE A 36 4.396 -3.085 3.297 1.00 10.00 H new ATOM 0 HB2 PHE A 36 2.783 -3.045 1.083 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.860 -1.336 1.462 1.00 10.00 H new ATOM 0 HD1 PHE A 36 5.634 -1.175 2.597 1.00 10.00 H new ATOM 0 HD2 PHE A 36 4.145 -3.217 -0.830 1.00 10.00 H new ATOM 0 HE1 PHE A 36 7.859 -1.056 1.566 1.00 10.00 H new ATOM 0 HE2 PHE A 36 6.370 -3.095 -1.868 1.00 10.00 H new ATOM 0 HZ PHE A 36 8.229 -2.011 -0.675 1.00 10.00 H new ATOM 268 N LYS A 37 4.318 -1.088 4.724 1.00 10.00 N ATOM 269 CA LYS A 37 4.335 0.093 5.568 1.00 10.00 C ATOM 270 C LYS A 37 4.912 1.276 4.804 1.00 10.00 C ATOM 271 O LYS A 37 6.130 1.413 4.670 1.00 10.00 O ATOM 272 CB LYS A 37 5.138 -0.173 6.842 1.00 10.00 C ATOM 273 CG LYS A 37 4.272 -0.212 8.094 1.00 10.00 C ATOM 274 CD LYS A 37 5.088 0.003 9.361 1.00 10.00 C ATOM 275 CE LYS A 37 6.127 -1.088 9.556 1.00 10.00 C ATOM 276 NZ LYS A 37 6.725 -1.038 10.917 1.00 10.00 N ATOM 0 H LYS A 37 5.141 -1.683 4.817 1.00 10.00 H new ATOM 0 HA LYS A 37 3.311 0.334 5.855 1.00 10.00 H new ATOM 0 HB2 LYS A 37 5.665 -1.122 6.741 1.00 10.00 H new ATOM 0 HB3 LYS A 37 5.896 0.602 6.955 1.00 10.00 H new ATOM 0 HG2 LYS A 37 3.501 0.555 8.025 1.00 10.00 H new ATOM 0 HG3 LYS A 37 3.761 -1.173 8.151 1.00 10.00 H new ATOM 0 HD2 LYS A 37 5.584 0.973 9.314 1.00 10.00 H new ATOM 0 HD3 LYS A 37 4.421 0.028 10.223 1.00 10.00 H new ATOM 0 HE2 LYS A 37 5.666 -2.063 9.396 1.00 10.00 H new ATOM 0 HE3 LYS A 37 6.913 -0.980 8.808 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 7.430 -1.797 11.015 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 7.186 -0.117 11.060 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 5.978 -1.166 11.629 1.00 10.00 H new ATOM 290 N VAL A 38 4.027 2.121 4.302 1.00 10.00 N ATOM 291 CA VAL A 38 4.427 3.288 3.534 1.00 10.00 C ATOM 292 C VAL A 38 4.298 4.559 4.367 1.00 10.00 C ATOM 293 O VAL A 38 3.754 4.537 5.471 1.00 10.00 O ATOM 294 CB VAL A 38 3.586 3.426 2.242 1.00 10.00 C ATOM 295 CG1 VAL A 38 3.480 2.088 1.532 1.00 10.00 C ATOM 296 CG2 VAL A 38 2.197 3.976 2.539 1.00 10.00 C ATOM 0 H VAL A 38 3.018 2.019 4.414 1.00 10.00 H new ATOM 0 HA VAL A 38 5.472 3.150 3.256 1.00 10.00 H new ATOM 0 HB VAL A 38 4.096 4.134 1.589 1.00 10.00 H new ATOM 0 HG11 VAL A 38 2.885 2.203 0.626 1.00 10.00 H new ATOM 0 HG12 VAL A 38 4.477 1.735 1.269 1.00 10.00 H new ATOM 0 HG13 VAL A 38 3.001 1.364 2.191 1.00 10.00 H new ATOM 0 HG21 VAL A 38 1.633 4.060 1.610 1.00 10.00 H new ATOM 0 HG22 VAL A 38 1.677 3.302 3.220 1.00 10.00 H new ATOM 0 HG23 VAL A 38 2.286 4.960 3.000 1.00 10.00 H new ATOM 306 N LYS A 39 4.796 5.662 3.837 1.00 10.00 N ATOM 307 CA LYS A 39 4.734 6.937 4.531 1.00 10.00 C ATOM 308 C LYS A 39 4.117 7.990 3.622 1.00 10.00 C ATOM 309 O LYS A 39 4.394 8.014 2.423 1.00 10.00 O ATOM 310 CB LYS A 39 6.138 7.362 4.973 1.00 10.00 C ATOM 311 CG LYS A 39 6.178 8.677 5.735 1.00 10.00 C ATOM 312 CD LYS A 39 7.521 8.881 6.414 1.00 10.00 C ATOM 313 CE LYS A 39 7.629 10.261 7.041 1.00 10.00 C ATOM 314 NZ LYS A 39 7.942 11.311 6.031 1.00 10.00 N ATOM 0 H LYS A 39 5.250 5.701 2.924 1.00 10.00 H new ATOM 0 HA LYS A 39 4.109 6.833 5.418 1.00 10.00 H new ATOM 0 HB2 LYS A 39 6.563 6.578 5.600 1.00 10.00 H new ATOM 0 HB3 LYS A 39 6.775 7.445 4.092 1.00 10.00 H new ATOM 0 HG2 LYS A 39 5.985 9.503 5.050 1.00 10.00 H new ATOM 0 HG3 LYS A 39 5.385 8.691 6.482 1.00 10.00 H new ATOM 0 HD2 LYS A 39 7.660 8.120 7.182 1.00 10.00 H new ATOM 0 HD3 LYS A 39 8.321 8.748 5.686 1.00 10.00 H new ATOM 0 HE2 LYS A 39 6.692 10.506 7.540 1.00 10.00 H new ATOM 0 HE3 LYS A 39 8.405 10.252 7.806 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 8.558 12.032 6.459 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 8.427 10.878 5.219 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 7.059 11.757 5.709 1.00 10.00 H new ATOM 328 N MET A 40 3.274 8.847 4.187 1.00 10.00 N ATOM 329 CA MET A 40 2.618 9.901 3.417 1.00 10.00 C ATOM 330 C MET A 40 3.596 11.032 3.113 1.00 10.00 C ATOM 331 O MET A 40 3.434 12.160 3.582 1.00 10.00 O ATOM 332 CB MET A 40 1.404 10.441 4.181 1.00 10.00 C ATOM 333 CG MET A 40 0.472 11.288 3.328 1.00 10.00 C ATOM 334 SD MET A 40 -0.293 10.349 1.991 1.00 10.00 S ATOM 335 CE MET A 40 -1.222 9.123 2.916 1.00 10.00 C ATOM 0 H MET A 40 3.028 8.834 5.177 1.00 10.00 H new ATOM 0 HA MET A 40 2.278 9.476 2.473 1.00 10.00 H new ATOM 0 HB2 MET A 40 0.843 9.602 4.593 1.00 10.00 H new ATOM 0 HB3 MET A 40 1.752 11.037 5.024 1.00 10.00 H new ATOM 0 HG2 MET A 40 -0.307 11.713 3.961 1.00 10.00 H new ATOM 0 HG3 MET A 40 1.031 12.124 2.906 1.00 10.00 H new ATOM 0 HE1 MET A 40 -2.100 8.824 2.344 1.00 10.00 H new ATOM 0 HE2 MET A 40 -0.593 8.251 3.098 1.00 10.00 H new ATOM 0 HE3 MET A 40 -1.537 9.548 3.869 1.00 10.00 H new ATOM 345 N THR A 41 4.626 10.709 2.349 1.00 10.00 N ATOM 346 CA THR A 41 5.651 11.670 1.967 1.00 10.00 C ATOM 347 C THR A 41 6.414 11.151 0.758 1.00 10.00 C ATOM 348 O THR A 41 6.731 11.899 -0.166 1.00 10.00 O ATOM 349 CB THR A 41 6.658 11.925 3.112 1.00 10.00 C ATOM 350 OG1 THR A 41 5.969 12.166 4.348 1.00 10.00 O ATOM 351 CG2 THR A 41 7.559 13.111 2.795 1.00 10.00 C ATOM 0 H THR A 41 4.777 9.772 1.975 1.00 10.00 H new ATOM 0 HA THR A 41 5.147 12.608 1.734 1.00 10.00 H new ATOM 0 HB THR A 41 7.275 11.032 3.212 1.00 10.00 H new ATOM 0 HG1 THR A 41 5.091 12.560 4.162 1.00 10.00 H new ATOM 0 HG21 THR A 41 8.257 13.268 3.617 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.116 12.911 1.880 1.00 10.00 H new ATOM 0 HG23 THR A 41 6.950 14.005 2.661 1.00 10.00 H new ATOM 359 N THR A 42 6.681 9.856 0.771 1.00 10.00 N ATOM 360 CA THR A 42 7.418 9.207 -0.294 1.00 10.00 C ATOM 361 C THR A 42 6.558 8.997 -1.539 1.00 10.00 C ATOM 362 O THR A 42 5.327 9.079 -1.491 1.00 10.00 O ATOM 363 CB THR A 42 7.955 7.853 0.194 1.00 10.00 C ATOM 364 OG1 THR A 42 7.974 7.854 1.626 1.00 10.00 O ATOM 365 CG2 THR A 42 9.360 7.596 -0.337 1.00 10.00 C ATOM 0 H THR A 42 6.392 9.227 1.521 1.00 10.00 H new ATOM 0 HA THR A 42 8.246 9.861 -0.567 1.00 10.00 H new ATOM 0 HB THR A 42 7.305 7.061 -0.177 1.00 10.00 H new ATOM 0 HG1 THR A 42 8.275 8.729 1.949 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.715 6.631 0.024 1.00 10.00 H new ATOM 0 HG22 THR A 42 9.342 7.591 -1.427 1.00 10.00 H new ATOM 0 HG23 THR A 42 10.030 8.382 0.011 1.00 10.00 H new ATOM 373 N HIS A 43 7.227 8.736 -2.646 1.00 10.00 N ATOM 374 CA HIS A 43 6.573 8.496 -3.922 1.00 10.00 C ATOM 375 C HIS A 43 6.292 7.008 -4.085 1.00 10.00 C ATOM 376 O HIS A 43 7.001 6.172 -3.521 1.00 10.00 O ATOM 377 CB HIS A 43 7.453 9.000 -5.073 1.00 10.00 C ATOM 378 CG HIS A 43 8.925 8.830 -4.831 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.582 7.673 -5.172 1.00 10.00 N ATOM 380 CD2 HIS A 43 9.808 9.687 -4.259 1.00 10.00 C ATOM 381 CE1 HIS A 43 10.839 7.850 -4.799 1.00 10.00 C ATOM 382 NE2 HIS A 43 11.025 9.055 -4.241 1.00 10.00 N ATOM 0 H HIS A 43 8.245 8.684 -2.687 1.00 10.00 H new ATOM 0 HA HIS A 43 5.629 9.040 -3.945 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.181 8.469 -5.985 1.00 10.00 H new ATOM 0 HB3 HIS A 43 7.242 10.056 -5.244 1.00 10.00 H new ATOM 0 HD2 HIS A 43 9.593 10.678 -3.888 1.00 10.00 H new ATOM 0 HE1 HIS A 43 11.619 7.114 -4.928 1.00 10.00 H new ATOM 0 HE2 HIS A 43 11.901 9.429 -3.875 1.00 10.00 H new ATOM 390 N LEU A 44 5.275 6.672 -4.869 1.00 10.00 N ATOM 391 CA LEU A 44 4.918 5.276 -5.084 1.00 10.00 C ATOM 392 C LEU A 44 5.939 4.578 -5.979 1.00 10.00 C ATOM 393 O LEU A 44 5.921 3.356 -6.111 1.00 10.00 O ATOM 394 CB LEU A 44 3.506 5.162 -5.663 1.00 10.00 C ATOM 395 CG LEU A 44 2.392 5.134 -4.612 1.00 10.00 C ATOM 396 CD1 LEU A 44 1.076 5.599 -5.212 1.00 10.00 C ATOM 397 CD2 LEU A 44 2.247 3.739 -4.024 1.00 10.00 C ATOM 0 H LEU A 44 4.686 7.342 -5.363 1.00 10.00 H new ATOM 0 HA LEU A 44 4.928 4.772 -4.118 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.333 6.002 -6.336 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.445 4.255 -6.264 1.00 10.00 H new ATOM 0 HG LEU A 44 2.663 5.820 -3.809 1.00 10.00 H new ATOM 0 HD11 LEU A 44 0.298 5.571 -4.449 1.00 10.00 H new ATOM 0 HD12 LEU A 44 1.185 6.618 -5.582 1.00 10.00 H new ATOM 0 HD13 LEU A 44 0.799 4.941 -6.036 1.00 10.00 H new ATOM 0 HD21 LEU A 44 1.451 3.739 -3.279 1.00 10.00 H new ATOM 0 HD22 LEU A 44 2.002 3.033 -4.818 1.00 10.00 H new ATOM 0 HD23 LEU A 44 3.184 3.443 -3.553 1.00 10.00 H new ATOM 409 N LYS A 45 6.829 5.360 -6.583 1.00 10.00 N ATOM 410 CA LYS A 45 7.884 4.817 -7.429 1.00 10.00 C ATOM 411 C LYS A 45 8.762 3.882 -6.602 1.00 10.00 C ATOM 412 O LYS A 45 9.050 2.753 -7.009 1.00 10.00 O ATOM 413 CB LYS A 45 8.718 5.964 -8.018 1.00 10.00 C ATOM 414 CG LYS A 45 10.025 5.531 -8.668 1.00 10.00 C ATOM 415 CD LYS A 45 9.791 4.660 -9.890 1.00 10.00 C ATOM 416 CE LYS A 45 10.867 4.877 -10.939 1.00 10.00 C ATOM 417 NZ LYS A 45 10.755 3.912 -12.066 1.00 10.00 N ATOM 0 H LYS A 45 6.839 6.377 -6.501 1.00 10.00 H new ATOM 0 HA LYS A 45 7.445 4.253 -8.252 1.00 10.00 H new ATOM 0 HB2 LYS A 45 8.116 6.490 -8.759 1.00 10.00 H new ATOM 0 HB3 LYS A 45 8.941 6.677 -7.225 1.00 10.00 H new ATOM 0 HG2 LYS A 45 10.597 6.413 -8.956 1.00 10.00 H new ATOM 0 HG3 LYS A 45 10.627 4.984 -7.943 1.00 10.00 H new ATOM 0 HD2 LYS A 45 9.776 3.611 -9.594 1.00 10.00 H new ATOM 0 HD3 LYS A 45 8.814 4.885 -10.317 1.00 10.00 H new ATOM 0 HE2 LYS A 45 10.796 5.894 -11.325 1.00 10.00 H new ATOM 0 HE3 LYS A 45 11.849 4.780 -10.476 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 11.600 3.983 -12.669 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 10.678 2.946 -11.689 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 9.909 4.132 -12.629 1.00 10.00 H new ATOM 431 N LYS A 46 9.148 4.364 -5.424 1.00 10.00 N ATOM 432 CA LYS A 46 9.978 3.601 -4.502 1.00 10.00 C ATOM 433 C LYS A 46 9.248 2.340 -4.044 1.00 10.00 C ATOM 434 O LYS A 46 9.851 1.281 -3.890 1.00 10.00 O ATOM 435 CB LYS A 46 10.336 4.479 -3.294 1.00 10.00 C ATOM 436 CG LYS A 46 11.006 3.735 -2.145 1.00 10.00 C ATOM 437 CD LYS A 46 12.472 3.439 -2.425 1.00 10.00 C ATOM 438 CE LYS A 46 13.310 4.708 -2.466 1.00 10.00 C ATOM 439 NZ LYS A 46 13.193 5.517 -1.219 1.00 10.00 N ATOM 0 H LYS A 46 8.894 5.292 -5.084 1.00 10.00 H new ATOM 0 HA LYS A 46 10.893 3.298 -5.011 1.00 10.00 H new ATOM 0 HB2 LYS A 46 10.998 5.279 -3.626 1.00 10.00 H new ATOM 0 HB3 LYS A 46 9.427 4.951 -2.922 1.00 10.00 H new ATOM 0 HG2 LYS A 46 10.925 4.329 -1.235 1.00 10.00 H new ATOM 0 HG3 LYS A 46 10.477 2.799 -1.963 1.00 10.00 H new ATOM 0 HD2 LYS A 46 12.861 2.772 -1.656 1.00 10.00 H new ATOM 0 HD3 LYS A 46 12.561 2.914 -3.376 1.00 10.00 H new ATOM 0 HE2 LYS A 46 14.355 4.443 -2.625 1.00 10.00 H new ATOM 0 HE3 LYS A 46 13.002 5.314 -3.318 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 12.867 6.476 -1.456 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 12.509 5.068 -0.577 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 14.121 5.572 -0.753 1.00 10.00 H new ATOM 453 N LEU A 47 7.942 2.461 -3.850 1.00 10.00 N ATOM 454 CA LEU A 47 7.126 1.338 -3.404 1.00 10.00 C ATOM 455 C LEU A 47 7.007 0.273 -4.490 1.00 10.00 C ATOM 456 O LEU A 47 7.165 -0.920 -4.223 1.00 10.00 O ATOM 457 CB LEU A 47 5.727 1.820 -2.992 1.00 10.00 C ATOM 458 CG LEU A 47 5.611 2.413 -1.578 1.00 10.00 C ATOM 459 CD1 LEU A 47 6.237 1.488 -0.552 1.00 10.00 C ATOM 460 CD2 LEU A 47 6.248 3.791 -1.506 1.00 10.00 C ATOM 0 H LEU A 47 7.423 3.327 -3.995 1.00 10.00 H new ATOM 0 HA LEU A 47 7.621 0.893 -2.540 1.00 10.00 H new ATOM 0 HB2 LEU A 47 5.397 2.572 -3.709 1.00 10.00 H new ATOM 0 HB3 LEU A 47 5.037 0.980 -3.071 1.00 10.00 H new ATOM 0 HG LEU A 47 4.550 2.517 -1.349 1.00 10.00 H new ATOM 0 HD11 LEU A 47 6.143 1.929 0.441 1.00 10.00 H new ATOM 0 HD12 LEU A 47 5.727 0.525 -0.571 1.00 10.00 H new ATOM 0 HD13 LEU A 47 7.292 1.345 -0.787 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.150 4.185 -0.494 1.00 10.00 H new ATOM 0 HD22 LEU A 47 7.304 3.718 -1.767 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.747 4.460 -2.206 1.00 10.00 H new ATOM 472 N LYS A 48 6.747 0.711 -5.714 1.00 10.00 N ATOM 473 CA LYS A 48 6.588 -0.201 -6.843 1.00 10.00 C ATOM 474 C LYS A 48 7.844 -1.037 -7.087 1.00 10.00 C ATOM 475 O LYS A 48 7.761 -2.256 -7.251 1.00 10.00 O ATOM 476 CB LYS A 48 6.233 0.578 -8.112 1.00 10.00 C ATOM 477 CG LYS A 48 4.820 1.140 -8.113 1.00 10.00 C ATOM 478 CD LYS A 48 4.544 1.975 -9.358 1.00 10.00 C ATOM 479 CE LYS A 48 4.400 1.108 -10.599 1.00 10.00 C ATOM 480 NZ LYS A 48 4.209 1.922 -11.827 1.00 10.00 N ATOM 0 H LYS A 48 6.641 1.697 -5.953 1.00 10.00 H new ATOM 0 HA LYS A 48 5.775 -0.883 -6.593 1.00 10.00 H new ATOM 0 HB2 LYS A 48 6.940 1.399 -8.233 1.00 10.00 H new ATOM 0 HB3 LYS A 48 6.354 -0.077 -8.975 1.00 10.00 H new ATOM 0 HG2 LYS A 48 4.103 0.321 -8.058 1.00 10.00 H new ATOM 0 HG3 LYS A 48 4.672 1.753 -7.224 1.00 10.00 H new ATOM 0 HD2 LYS A 48 3.633 2.555 -9.212 1.00 10.00 H new ATOM 0 HD3 LYS A 48 5.355 2.688 -9.505 1.00 10.00 H new ATOM 0 HE2 LYS A 48 5.287 0.485 -10.711 1.00 10.00 H new ATOM 0 HE3 LYS A 48 3.552 0.435 -10.475 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 4.418 1.341 -12.664 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 3.225 2.255 -11.873 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 4.851 2.740 -11.804 1.00 10.00 H new ATOM 494 N GLU A 49 9.006 -0.390 -7.100 1.00 10.00 N ATOM 495 CA GLU A 49 10.259 -1.097 -7.350 1.00 10.00 C ATOM 496 C GLU A 49 10.625 -2.021 -6.188 1.00 10.00 C ATOM 497 O GLU A 49 11.116 -3.128 -6.411 1.00 10.00 O ATOM 498 CB GLU A 49 11.402 -0.116 -7.636 1.00 10.00 C ATOM 499 CG GLU A 49 11.679 0.874 -6.518 1.00 10.00 C ATOM 500 CD GLU A 49 12.890 1.737 -6.798 1.00 10.00 C ATOM 501 OE1 GLU A 49 13.503 1.577 -7.875 1.00 10.00 O ATOM 502 OE2 GLU A 49 13.242 2.573 -5.942 1.00 10.00 O ATOM 0 H GLU A 49 9.107 0.613 -6.942 1.00 10.00 H new ATOM 0 HA GLU A 49 10.108 -1.715 -8.235 1.00 10.00 H new ATOM 0 HB2 GLU A 49 12.311 -0.685 -7.834 1.00 10.00 H new ATOM 0 HB3 GLU A 49 11.169 0.438 -8.545 1.00 10.00 H new ATOM 0 HG2 GLU A 49 10.807 1.512 -6.377 1.00 10.00 H new ATOM 0 HG3 GLU A 49 11.831 0.331 -5.585 1.00 10.00 H new ATOM 509 N SER A 50 10.363 -1.588 -4.959 1.00 10.00 N ATOM 510 CA SER A 50 10.684 -2.397 -3.785 1.00 10.00 C ATOM 511 C SER A 50 9.840 -3.668 -3.737 1.00 10.00 C ATOM 512 O SER A 50 10.316 -4.728 -3.324 1.00 10.00 O ATOM 513 CB SER A 50 10.495 -1.580 -2.510 1.00 10.00 C ATOM 514 OG SER A 50 11.302 -0.414 -2.539 1.00 10.00 O ATOM 0 H SER A 50 9.932 -0.688 -4.749 1.00 10.00 H new ATOM 0 HA SER A 50 11.730 -2.696 -3.859 1.00 10.00 H new ATOM 0 HB2 SER A 50 9.447 -1.301 -2.403 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.754 -2.186 -1.642 1.00 10.00 H new ATOM 0 HG SER A 50 10.751 0.359 -2.784 1.00 10.00 H new ATOM 520 N TYR A 51 8.590 -3.571 -4.175 1.00 10.00 N ATOM 521 CA TYR A 51 7.706 -4.725 -4.183 1.00 10.00 C ATOM 522 C TYR A 51 8.206 -5.760 -5.184 1.00 10.00 C ATOM 523 O TYR A 51 8.096 -6.964 -4.953 1.00 10.00 O ATOM 524 CB TYR A 51 6.276 -4.317 -4.525 1.00 10.00 C ATOM 525 CG TYR A 51 5.260 -5.409 -4.246 1.00 10.00 C ATOM 526 CD1 TYR A 51 4.705 -5.557 -2.981 1.00 10.00 C ATOM 527 CD2 TYR A 51 4.863 -6.294 -5.244 1.00 10.00 C ATOM 528 CE1 TYR A 51 3.784 -6.553 -2.717 1.00 10.00 C ATOM 529 CE2 TYR A 51 3.941 -7.293 -4.986 1.00 10.00 C ATOM 530 CZ TYR A 51 3.406 -7.418 -3.724 1.00 10.00 C ATOM 531 OH TYR A 51 2.490 -8.413 -3.466 1.00 10.00 O ATOM 0 H TYR A 51 8.170 -2.710 -4.526 1.00 10.00 H new ATOM 0 HA TYR A 51 7.707 -5.161 -3.184 1.00 10.00 H new ATOM 0 HB2 TYR A 51 6.012 -3.429 -3.952 1.00 10.00 H new ATOM 0 HB3 TYR A 51 6.225 -4.043 -5.579 1.00 10.00 H new ATOM 0 HD1 TYR A 51 4.998 -4.882 -2.190 1.00 10.00 H new ATOM 0 HD2 TYR A 51 5.281 -6.200 -6.235 1.00 10.00 H new ATOM 0 HE1 TYR A 51 3.362 -6.654 -1.728 1.00 10.00 H new ATOM 0 HE2 TYR A 51 3.642 -7.972 -5.771 1.00 10.00 H new ATOM 0 HH TYR A 51 2.838 -9.270 -3.790 1.00 10.00 H new ATOM 541 N CYS A 52 8.762 -5.281 -6.293 1.00 10.00 N ATOM 542 CA CYS A 52 9.294 -6.166 -7.319 1.00 10.00 C ATOM 543 C CYS A 52 10.467 -6.971 -6.757 1.00 10.00 C ATOM 544 O CYS A 52 10.652 -8.144 -7.091 1.00 10.00 O ATOM 545 CB CYS A 52 9.737 -5.358 -8.544 1.00 10.00 C ATOM 546 SG CYS A 52 8.425 -4.347 -9.280 1.00 10.00 S ATOM 0 H CYS A 52 8.855 -4.287 -6.502 1.00 10.00 H new ATOM 0 HA CYS A 52 8.510 -6.857 -7.629 1.00 10.00 H new ATOM 0 HB2 CYS A 52 10.564 -4.708 -8.257 1.00 10.00 H new ATOM 0 HB3 CYS A 52 10.119 -6.045 -9.300 1.00 10.00 H new ATOM 0 HG CYS A 52 8.198 -3.314 -8.525 1.00 10.00 H new ATOM 552 N GLN A 53 11.240 -6.335 -5.882 1.00 10.00 N ATOM 553 CA GLN A 53 12.385 -6.980 -5.254 1.00 10.00 C ATOM 554 C GLN A 53 11.914 -8.029 -4.253 1.00 10.00 C ATOM 555 O GLN A 53 12.551 -9.067 -4.077 1.00 10.00 O ATOM 556 CB GLN A 53 13.252 -5.943 -4.540 1.00 10.00 C ATOM 557 CG GLN A 53 13.699 -4.792 -5.431 1.00 10.00 C ATOM 558 CD GLN A 53 14.174 -3.597 -4.628 1.00 10.00 C ATOM 559 OE1 GLN A 53 13.699 -3.353 -3.520 1.00 10.00 O ATOM 560 NE2 GLN A 53 15.108 -2.844 -5.178 1.00 10.00 N ATOM 0 H GLN A 53 11.092 -5.369 -5.592 1.00 10.00 H new ATOM 0 HA GLN A 53 12.977 -7.465 -6.030 1.00 10.00 H new ATOM 0 HB2 GLN A 53 12.696 -5.539 -3.694 1.00 10.00 H new ATOM 0 HB3 GLN A 53 14.134 -6.439 -4.134 1.00 10.00 H new ATOM 0 HG2 GLN A 53 14.503 -5.131 -6.084 1.00 10.00 H new ATOM 0 HG3 GLN A 53 12.872 -4.490 -6.074 1.00 10.00 H new ATOM 0 HE21 GLN A 53 15.476 -3.080 -6.099 1.00 10.00 H new ATOM 0 HE22 GLN A 53 15.461 -2.026 -4.682 1.00 10.00 H new ATOM 569 N ARG A 54 10.783 -7.749 -3.610 1.00 10.00 N ATOM 570 CA ARG A 54 10.210 -8.658 -2.623 1.00 10.00 C ATOM 571 C ARG A 54 9.810 -9.978 -3.277 1.00 10.00 C ATOM 572 O ARG A 54 9.889 -11.037 -2.657 1.00 10.00 O ATOM 573 CB ARG A 54 8.987 -8.015 -1.950 1.00 10.00 C ATOM 574 CG ARG A 54 8.565 -8.682 -0.644 1.00 10.00 C ATOM 575 CD ARG A 54 9.413 -8.204 0.525 1.00 10.00 C ATOM 576 NE ARG A 54 8.873 -8.619 1.826 1.00 10.00 N ATOM 577 CZ ARG A 54 9.546 -8.507 2.972 1.00 10.00 C ATOM 578 NH1 ARG A 54 10.778 -8.012 2.981 1.00 10.00 N ATOM 579 NH2 ARG A 54 8.993 -8.900 4.113 1.00 10.00 N ATOM 0 H ARG A 54 10.244 -6.896 -3.756 1.00 10.00 H new ATOM 0 HA ARG A 54 10.966 -8.859 -1.864 1.00 10.00 H new ATOM 0 HB2 ARG A 54 9.205 -6.965 -1.754 1.00 10.00 H new ATOM 0 HB3 ARG A 54 8.148 -8.042 -2.646 1.00 10.00 H new ATOM 0 HG2 ARG A 54 7.515 -8.465 -0.446 1.00 10.00 H new ATOM 0 HG3 ARG A 54 8.654 -9.764 -0.741 1.00 10.00 H new ATOM 0 HD2 ARG A 54 10.426 -8.592 0.416 1.00 10.00 H new ATOM 0 HD3 ARG A 54 9.484 -7.117 0.496 1.00 10.00 H new ATOM 0 HE ARG A 54 7.933 -9.014 1.855 1.00 10.00 H new ATOM 0 HH11 ARG A 54 11.215 -7.715 2.108 1.00 10.00 H new ATOM 0 HH12 ARG A 54 11.288 -7.929 3.861 1.00 10.00 H new ATOM 0 HH21 ARG A 54 8.050 -9.289 4.115 1.00 10.00 H new ATOM 0 HH22 ARG A 54 9.511 -8.813 4.987 1.00 10.00 H new ATOM 593 N GLN A 55 9.386 -9.907 -4.535 1.00 10.00 N ATOM 594 CA GLN A 55 8.965 -11.098 -5.263 1.00 10.00 C ATOM 595 C GLN A 55 10.128 -11.711 -6.043 1.00 10.00 C ATOM 596 O GLN A 55 10.168 -12.921 -6.271 1.00 10.00 O ATOM 597 CB GLN A 55 7.811 -10.758 -6.215 1.00 10.00 C ATOM 598 CG GLN A 55 6.630 -10.068 -5.540 1.00 10.00 C ATOM 599 CD GLN A 55 6.154 -10.789 -4.293 1.00 10.00 C ATOM 600 OE1 GLN A 55 6.583 -10.483 -3.183 1.00 10.00 O ATOM 601 NE2 GLN A 55 5.266 -11.755 -4.466 1.00 10.00 N ATOM 0 H GLN A 55 9.325 -9.040 -5.070 1.00 10.00 H new ATOM 0 HA GLN A 55 8.622 -11.833 -4.535 1.00 10.00 H new ATOM 0 HB2 GLN A 55 8.188 -10.115 -7.010 1.00 10.00 H new ATOM 0 HB3 GLN A 55 7.461 -11.676 -6.687 1.00 10.00 H new ATOM 0 HG2 GLN A 55 6.914 -9.049 -5.277 1.00 10.00 H new ATOM 0 HG3 GLN A 55 5.805 -9.997 -6.249 1.00 10.00 H new ATOM 0 HE21 GLN A 55 4.933 -11.980 -5.404 1.00 10.00 H new ATOM 0 HE22 GLN A 55 4.914 -12.274 -3.662 1.00 10.00 H new ATOM 610 N GLY A 56 11.072 -10.873 -6.456 1.00 10.00 N ATOM 611 CA GLY A 56 12.222 -11.358 -7.200 1.00 10.00 C ATOM 612 C GLY A 56 12.051 -11.199 -8.699 1.00 10.00 C ATOM 613 O GLY A 56 12.537 -12.018 -9.482 1.00 10.00 O ATOM 0 H GLY A 56 11.063 -9.867 -6.290 1.00 10.00 H new ATOM 0 HA2 GLY A 56 13.113 -10.818 -6.879 1.00 10.00 H new ATOM 0 HA3 GLY A 56 12.386 -12.410 -6.965 1.00 10.00 H new ATOM 617 N VAL A 57 11.355 -10.145 -9.096 1.00 10.00 N ATOM 618 CA VAL A 57 11.110 -9.871 -10.504 1.00 10.00 C ATOM 619 C VAL A 57 11.507 -8.437 -10.840 1.00 10.00 C ATOM 620 O VAL A 57 11.586 -7.593 -9.946 1.00 10.00 O ATOM 621 CB VAL A 57 9.624 -10.091 -10.872 1.00 10.00 C ATOM 622 CG1 VAL A 57 9.278 -11.574 -10.870 1.00 10.00 C ATOM 623 CG2 VAL A 57 8.713 -9.328 -9.920 1.00 10.00 C ATOM 0 H VAL A 57 10.947 -9.461 -8.458 1.00 10.00 H new ATOM 0 HA VAL A 57 11.717 -10.566 -11.085 1.00 10.00 H new ATOM 0 HB VAL A 57 9.466 -9.706 -11.879 1.00 10.00 H new ATOM 0 HG11 VAL A 57 8.228 -11.703 -11.132 1.00 10.00 H new ATOM 0 HG12 VAL A 57 9.900 -12.094 -11.599 1.00 10.00 H new ATOM 0 HG13 VAL A 57 9.458 -11.988 -9.878 1.00 10.00 H new ATOM 0 HG21 VAL A 57 7.673 -9.497 -10.198 1.00 10.00 H new ATOM 0 HG22 VAL A 57 8.878 -9.677 -8.901 1.00 10.00 H new ATOM 0 HG23 VAL A 57 8.935 -8.263 -9.979 1.00 10.00 H new ATOM 633 N PRO A 58 11.800 -8.147 -12.119 1.00 10.00 N ATOM 634 CA PRO A 58 12.171 -6.796 -12.546 1.00 10.00 C ATOM 635 C PRO A 58 10.985 -5.844 -12.454 1.00 10.00 C ATOM 636 O PRO A 58 9.836 -6.280 -12.487 1.00 10.00 O ATOM 637 CB PRO A 58 12.593 -6.984 -14.006 1.00 10.00 C ATOM 638 CG PRO A 58 11.893 -8.218 -14.455 1.00 10.00 C ATOM 639 CD PRO A 58 11.795 -9.103 -13.244 1.00 10.00 C ATOM 0 HA PRO A 58 12.953 -6.361 -11.924 1.00 10.00 H new ATOM 0 HB2 PRO A 58 12.307 -6.125 -14.613 1.00 10.00 H new ATOM 0 HB3 PRO A 58 13.674 -7.090 -14.094 1.00 10.00 H new ATOM 0 HG2 PRO A 58 10.904 -7.984 -14.848 1.00 10.00 H new ATOM 0 HG3 PRO A 58 12.446 -8.711 -15.255 1.00 10.00 H new ATOM 0 HD2 PRO A 58 10.885 -9.703 -13.257 1.00 10.00 H new ATOM 0 HD3 PRO A 58 12.633 -9.797 -13.185 1.00 10.00 H new ATOM 647 N MET A 59 11.253 -4.554 -12.340 1.00 10.00 N ATOM 648 CA MET A 59 10.181 -3.571 -12.244 1.00 10.00 C ATOM 649 C MET A 59 9.401 -3.504 -13.557 1.00 10.00 C ATOM 650 O MET A 59 9.919 -3.890 -14.604 1.00 10.00 O ATOM 651 CB MET A 59 10.740 -2.189 -11.894 1.00 10.00 C ATOM 652 CG MET A 59 9.684 -1.229 -11.374 1.00 10.00 C ATOM 653 SD MET A 59 10.230 0.488 -11.372 1.00 10.00 S ATOM 654 CE MET A 59 8.748 1.300 -10.781 1.00 10.00 C ATOM 0 H MET A 59 12.195 -4.163 -12.312 1.00 10.00 H new ATOM 0 HA MET A 59 9.505 -3.882 -11.447 1.00 10.00 H new ATOM 0 HB2 MET A 59 11.522 -2.300 -11.143 1.00 10.00 H new ATOM 0 HB3 MET A 59 11.208 -1.759 -12.779 1.00 10.00 H new ATOM 0 HG2 MET A 59 8.787 -1.318 -11.987 1.00 10.00 H new ATOM 0 HG3 MET A 59 9.407 -1.517 -10.360 1.00 10.00 H new ATOM 0 HE1 MET A 59 8.711 2.318 -11.170 1.00 10.00 H new ATOM 0 HE2 MET A 59 7.871 0.749 -11.121 1.00 10.00 H new ATOM 0 HE3 MET A 59 8.758 1.328 -9.691 1.00 10.00 H new ATOM 664 N ASN A 60 8.147 -3.044 -13.469 1.00 10.00 N ATOM 665 CA ASN A 60 7.252 -2.894 -14.629 1.00 10.00 C ATOM 666 C ASN A 60 6.624 -4.230 -15.036 1.00 10.00 C ATOM 667 O ASN A 60 5.832 -4.294 -15.975 1.00 10.00 O ATOM 668 CB ASN A 60 7.984 -2.252 -15.820 1.00 10.00 C ATOM 669 CG ASN A 60 7.049 -1.519 -16.765 1.00 10.00 C ATOM 670 OD1 ASN A 60 6.703 -0.355 -16.539 1.00 10.00 O ATOM 671 ND2 ASN A 60 6.641 -2.185 -17.834 1.00 10.00 N ATOM 0 H ASN A 60 7.720 -2.763 -12.587 1.00 10.00 H new ATOM 0 HA ASN A 60 6.445 -2.227 -14.327 1.00 10.00 H new ATOM 0 HB2 ASN A 60 8.734 -1.555 -15.446 1.00 10.00 H new ATOM 0 HB3 ASN A 60 8.517 -3.026 -16.372 1.00 10.00 H new ATOM 0 HD21 ASN A 60 6.018 -1.738 -18.507 1.00 10.00 H new ATOM 0 HD22 ASN A 60 6.949 -3.145 -17.985 1.00 10.00 H new ATOM 678 N SER A 61 6.963 -5.295 -14.321 1.00 10.00 N ATOM 679 CA SER A 61 6.408 -6.611 -14.616 1.00 10.00 C ATOM 680 C SER A 61 5.073 -6.787 -13.905 1.00 10.00 C ATOM 681 O SER A 61 4.199 -7.524 -14.364 1.00 10.00 O ATOM 682 CB SER A 61 7.378 -7.711 -14.181 1.00 10.00 C ATOM 683 OG SER A 61 7.663 -7.618 -12.797 1.00 10.00 O ATOM 0 H SER A 61 7.615 -5.275 -13.537 1.00 10.00 H new ATOM 0 HA SER A 61 6.252 -6.687 -15.692 1.00 10.00 H new ATOM 0 HB2 SER A 61 6.949 -8.688 -14.403 1.00 10.00 H new ATOM 0 HB3 SER A 61 8.303 -7.632 -14.752 1.00 10.00 H new ATOM 0 HG SER A 61 8.586 -7.314 -12.673 1.00 10.00 H new ATOM 689 N LEU A 62 4.920 -6.094 -12.783 1.00 10.00 N ATOM 690 CA LEU A 62 3.707 -6.171 -11.992 1.00 10.00 C ATOM 691 C LEU A 62 2.953 -4.849 -12.031 1.00 10.00 C ATOM 692 O LEU A 62 3.531 -3.784 -11.800 1.00 10.00 O ATOM 693 CB LEU A 62 4.046 -6.528 -10.542 1.00 10.00 C ATOM 694 CG LEU A 62 4.846 -7.819 -10.354 1.00 10.00 C ATOM 695 CD1 LEU A 62 5.271 -7.971 -8.904 1.00 10.00 C ATOM 696 CD2 LEU A 62 4.035 -9.025 -10.802 1.00 10.00 C ATOM 0 H LEU A 62 5.630 -5.469 -12.402 1.00 10.00 H new ATOM 0 HA LEU A 62 3.072 -6.948 -12.416 1.00 10.00 H new ATOM 0 HB2 LEU A 62 4.610 -5.704 -10.105 1.00 10.00 H new ATOM 0 HB3 LEU A 62 3.116 -6.611 -9.979 1.00 10.00 H new ATOM 0 HG LEU A 62 5.741 -7.762 -10.974 1.00 10.00 H new ATOM 0 HD11 LEU A 62 5.839 -8.894 -8.786 1.00 10.00 H new ATOM 0 HD12 LEU A 62 5.893 -7.123 -8.616 1.00 10.00 H new ATOM 0 HD13 LEU A 62 4.387 -8.005 -8.267 1.00 10.00 H new ATOM 0 HD21 LEU A 62 4.623 -9.932 -10.660 1.00 10.00 H new ATOM 0 HD22 LEU A 62 3.121 -9.089 -10.212 1.00 10.00 H new ATOM 0 HD23 LEU A 62 3.779 -8.920 -11.856 1.00 10.00 H new ATOM 708 N ARG A 63 1.667 -4.923 -12.329 1.00 10.00 N ATOM 709 CA ARG A 63 0.827 -3.742 -12.384 1.00 10.00 C ATOM 710 C ARG A 63 0.010 -3.631 -11.106 1.00 10.00 C ATOM 711 O ARG A 63 -0.616 -4.600 -10.667 1.00 10.00 O ATOM 712 CB ARG A 63 -0.103 -3.772 -13.606 1.00 10.00 C ATOM 713 CG ARG A 63 -1.095 -4.926 -13.608 1.00 10.00 C ATOM 714 CD ARG A 63 -2.117 -4.792 -14.725 1.00 10.00 C ATOM 715 NE ARG A 63 -3.105 -5.873 -14.698 1.00 10.00 N ATOM 716 CZ ARG A 63 -3.042 -6.970 -15.459 1.00 10.00 C ATOM 717 NH1 ARG A 63 -2.080 -7.110 -16.368 1.00 10.00 N ATOM 718 NH2 ARG A 63 -3.961 -7.920 -15.327 1.00 10.00 N ATOM 0 H ARG A 63 1.181 -5.795 -12.538 1.00 10.00 H new ATOM 0 HA ARG A 63 1.473 -2.869 -12.479 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -0.655 -2.833 -13.651 1.00 10.00 H new ATOM 0 HB3 ARG A 63 0.504 -3.828 -14.509 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -0.557 -5.867 -13.719 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -1.609 -4.964 -12.648 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -2.627 -3.833 -14.637 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -1.605 -4.793 -15.687 1.00 10.00 H new ATOM 0 HE ARG A 63 -3.893 -5.783 -14.056 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -1.382 -6.376 -16.489 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -2.041 -7.951 -16.944 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -4.713 -7.811 -14.646 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -3.915 -8.758 -15.907 1.00 10.00 H new ATOM 732 N PHE A 64 0.041 -2.463 -10.501 1.00 10.00 N ATOM 733 CA PHE A 64 -0.706 -2.221 -9.282 1.00 10.00 C ATOM 734 C PHE A 64 -2.022 -1.550 -9.625 1.00 10.00 C ATOM 735 O PHE A 64 -2.040 -0.453 -10.182 1.00 10.00 O ATOM 736 CB PHE A 64 0.102 -1.350 -8.324 1.00 10.00 C ATOM 737 CG PHE A 64 1.262 -2.072 -7.701 1.00 10.00 C ATOM 738 CD1 PHE A 64 2.546 -1.903 -8.194 1.00 10.00 C ATOM 739 CD2 PHE A 64 1.068 -2.920 -6.623 1.00 10.00 C ATOM 740 CE1 PHE A 64 3.615 -2.566 -7.623 1.00 10.00 C ATOM 741 CE2 PHE A 64 2.132 -3.587 -6.048 1.00 10.00 C ATOM 742 CZ PHE A 64 3.407 -3.409 -6.549 1.00 10.00 C ATOM 0 H PHE A 64 0.577 -1.662 -10.834 1.00 10.00 H new ATOM 0 HA PHE A 64 -0.905 -3.172 -8.788 1.00 10.00 H new ATOM 0 HB2 PHE A 64 0.472 -0.477 -8.862 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -0.555 -0.983 -7.535 1.00 10.00 H new ATOM 0 HD1 PHE A 64 2.713 -1.245 -9.034 1.00 10.00 H new ATOM 0 HD2 PHE A 64 0.073 -3.061 -6.227 1.00 10.00 H new ATOM 0 HE1 PHE A 64 4.611 -2.425 -8.016 1.00 10.00 H new ATOM 0 HE2 PHE A 64 1.968 -4.246 -5.209 1.00 10.00 H new ATOM 0 HZ PHE A 64 4.241 -3.929 -6.101 1.00 10.00 H new ATOM 752 N LEU A 65 -3.115 -2.219 -9.312 1.00 10.00 N ATOM 753 CA LEU A 65 -4.432 -1.694 -9.610 1.00 10.00 C ATOM 754 C LEU A 65 -5.098 -1.146 -8.361 1.00 10.00 C ATOM 755 O LEU A 65 -5.228 -1.838 -7.346 1.00 10.00 O ATOM 756 CB LEU A 65 -5.307 -2.776 -10.248 1.00 10.00 C ATOM 757 CG LEU A 65 -4.879 -3.220 -11.650 1.00 10.00 C ATOM 758 CD1 LEU A 65 -5.857 -4.243 -12.206 1.00 10.00 C ATOM 759 CD2 LEU A 65 -4.776 -2.023 -12.584 1.00 10.00 C ATOM 0 H LEU A 65 -3.116 -3.129 -8.851 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.315 -0.874 -10.318 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -5.312 -3.648 -9.594 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.332 -2.409 -10.298 1.00 10.00 H new ATOM 0 HG LEU A 65 -3.896 -3.684 -11.576 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -5.538 -4.547 -13.203 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -5.883 -5.114 -11.552 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -6.852 -3.802 -12.263 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -4.471 -2.360 -13.575 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -5.746 -1.529 -12.651 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -4.038 -1.321 -12.196 1.00 10.00 H new ATOM 771 N PHE A 66 -5.497 0.110 -8.442 1.00 10.00 N ATOM 772 CA PHE A 66 -6.165 0.783 -7.349 1.00 10.00 C ATOM 773 C PHE A 66 -7.461 1.397 -7.856 1.00 10.00 C ATOM 774 O PHE A 66 -7.441 2.387 -8.589 1.00 10.00 O ATOM 775 CB PHE A 66 -5.262 1.867 -6.756 1.00 10.00 C ATOM 776 CG PHE A 66 -5.753 2.417 -5.446 1.00 10.00 C ATOM 777 CD1 PHE A 66 -5.449 1.773 -4.257 1.00 10.00 C ATOM 778 CD2 PHE A 66 -6.510 3.578 -5.401 1.00 10.00 C ATOM 779 CE1 PHE A 66 -5.892 2.275 -3.050 1.00 10.00 C ATOM 780 CE2 PHE A 66 -6.957 4.083 -4.195 1.00 10.00 C ATOM 781 CZ PHE A 66 -6.646 3.430 -3.020 1.00 10.00 C ATOM 0 H PHE A 66 -5.366 0.691 -9.270 1.00 10.00 H new ATOM 0 HA PHE A 66 -6.388 0.060 -6.565 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -4.262 1.457 -6.615 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -5.173 2.684 -7.472 1.00 10.00 H new ATOM 0 HD1 PHE A 66 -4.859 0.869 -4.275 1.00 10.00 H new ATOM 0 HD2 PHE A 66 -6.753 4.093 -6.319 1.00 10.00 H new ATOM 0 HE1 PHE A 66 -5.649 1.764 -2.130 1.00 10.00 H new ATOM 0 HE2 PHE A 66 -7.548 4.986 -4.172 1.00 10.00 H new ATOM 0 HZ PHE A 66 -6.993 3.823 -2.076 1.00 10.00 H new ATOM 791 N GLU A 67 -8.577 0.770 -7.503 1.00 10.00 N ATOM 792 CA GLU A 67 -9.904 1.230 -7.908 1.00 10.00 C ATOM 793 C GLU A 67 -10.094 1.126 -9.419 1.00 10.00 C ATOM 794 O GLU A 67 -10.915 1.834 -10.006 1.00 10.00 O ATOM 795 CB GLU A 67 -10.155 2.661 -7.423 1.00 10.00 C ATOM 796 CG GLU A 67 -10.536 2.735 -5.954 1.00 10.00 C ATOM 797 CD GLU A 67 -11.803 1.963 -5.649 1.00 10.00 C ATOM 798 OE1 GLU A 67 -11.731 0.730 -5.475 1.00 10.00 O ATOM 799 OE2 GLU A 67 -12.883 2.589 -5.594 1.00 10.00 O ATOM 0 H GLU A 67 -8.590 -0.072 -6.928 1.00 10.00 H new ATOM 0 HA GLU A 67 -10.639 0.576 -7.438 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -9.258 3.257 -7.590 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -10.950 3.107 -8.021 1.00 10.00 H new ATOM 0 HG2 GLU A 67 -9.719 2.342 -5.349 1.00 10.00 H new ATOM 0 HG3 GLU A 67 -10.671 3.778 -5.668 1.00 10.00 H new ATOM 806 N GLY A 68 -9.347 0.223 -10.040 1.00 10.00 N ATOM 807 CA GLY A 68 -9.451 0.028 -11.472 1.00 10.00 C ATOM 808 C GLY A 68 -8.391 0.780 -12.249 1.00 10.00 C ATOM 809 O GLY A 68 -8.217 0.555 -13.446 1.00 10.00 O ATOM 0 H GLY A 68 -8.668 -0.380 -9.575 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -9.371 -1.036 -11.695 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -10.437 0.351 -11.807 1.00 10.00 H new ATOM 813 N GLN A 69 -7.681 1.674 -11.578 1.00 10.00 N ATOM 814 CA GLN A 69 -6.638 2.452 -12.231 1.00 10.00 C ATOM 815 C GLN A 69 -5.269 1.879 -11.902 1.00 10.00 C ATOM 816 O GLN A 69 -5.064 1.325 -10.822 1.00 10.00 O ATOM 817 CB GLN A 69 -6.710 3.921 -11.805 1.00 10.00 C ATOM 818 CG GLN A 69 -8.071 4.558 -12.039 1.00 10.00 C ATOM 819 CD GLN A 69 -7.997 6.068 -12.145 1.00 10.00 C ATOM 820 OE1 GLN A 69 -7.114 6.705 -11.570 1.00 10.00 O ATOM 821 NE2 GLN A 69 -8.927 6.651 -12.887 1.00 10.00 N ATOM 0 H GLN A 69 -7.806 1.879 -10.587 1.00 10.00 H new ATOM 0 HA GLN A 69 -6.795 2.397 -13.308 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -6.460 3.996 -10.747 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -5.955 4.486 -12.351 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -8.505 4.154 -12.954 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -8.740 4.287 -11.222 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -9.641 6.086 -13.347 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -8.929 7.665 -12.999 1.00 10.00 H new ATOM 830 N ARG A 70 -4.335 2.005 -12.832 1.00 10.00 N ATOM 831 CA ARG A 70 -2.990 1.493 -12.622 1.00 10.00 C ATOM 832 C ARG A 70 -2.114 2.555 -11.968 1.00 10.00 C ATOM 833 O ARG A 70 -2.090 3.710 -12.397 1.00 10.00 O ATOM 834 CB ARG A 70 -2.368 1.007 -13.940 1.00 10.00 C ATOM 835 CG ARG A 70 -2.283 2.069 -15.025 1.00 10.00 C ATOM 836 CD ARG A 70 -1.991 1.454 -16.386 1.00 10.00 C ATOM 837 NE ARG A 70 -0.583 1.080 -16.537 1.00 10.00 N ATOM 838 CZ ARG A 70 -0.157 -0.153 -16.822 1.00 10.00 C ATOM 839 NH1 ARG A 70 -1.013 -1.164 -16.902 1.00 10.00 N ATOM 840 NH2 ARG A 70 1.134 -0.382 -17.014 1.00 10.00 N ATOM 0 H ARG A 70 -4.482 2.455 -13.735 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.054 0.636 -11.951 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -1.365 0.631 -13.737 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -2.953 0.167 -14.316 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -3.221 2.622 -15.068 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -1.502 2.786 -14.773 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -2.616 0.572 -16.525 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -2.262 2.163 -17.168 1.00 10.00 H new ATOM 0 HE ARG A 70 0.119 1.810 -16.416 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -2.008 -1.003 -16.745 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -0.676 -2.102 -17.120 1.00 10.00 H new ATOM 0 HH21 ARG A 70 1.804 0.384 -16.944 1.00 10.00 H new ATOM 0 HH22 ARG A 70 1.458 -1.324 -17.232 1.00 10.00 H new ATOM 854 N ILE A 71 -1.414 2.155 -10.918 1.00 10.00 N ATOM 855 CA ILE A 71 -0.535 3.053 -10.185 1.00 10.00 C ATOM 856 C ILE A 71 0.693 3.423 -11.014 1.00 10.00 C ATOM 857 O ILE A 71 1.469 2.555 -11.432 1.00 10.00 O ATOM 858 CB ILE A 71 -0.090 2.428 -8.845 1.00 10.00 C ATOM 859 CG1 ILE A 71 -1.306 2.172 -7.946 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.923 3.318 -8.137 1.00 10.00 C ATOM 861 CD1 ILE A 71 -2.124 3.414 -7.655 1.00 10.00 C ATOM 0 H ILE A 71 -1.439 1.204 -10.551 1.00 10.00 H new ATOM 0 HA ILE A 71 -1.103 3.960 -9.977 1.00 10.00 H new ATOM 0 HB ILE A 71 0.393 1.474 -9.058 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.947 1.429 -8.421 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.965 1.744 -7.003 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.220 2.854 -7.196 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.800 3.446 -8.771 1.00 10.00 H new ATOM 0 HG23 ILE A 71 0.475 4.291 -7.937 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -2.966 3.153 -7.014 1.00 10.00 H new ATOM 0 HD12 ILE A 71 -1.499 4.151 -7.151 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -2.496 3.832 -8.590 1.00 10.00 H new ATOM 873 N ALA A 72 0.858 4.714 -11.249 1.00 10.00 N ATOM 874 CA ALA A 72 1.980 5.222 -12.018 1.00 10.00 C ATOM 875 C ALA A 72 3.193 5.415 -11.119 1.00 10.00 C ATOM 876 O ALA A 72 3.087 5.348 -9.893 1.00 10.00 O ATOM 877 CB ALA A 72 1.604 6.528 -12.703 1.00 10.00 C ATOM 0 H ALA A 72 0.221 5.436 -10.913 1.00 10.00 H new ATOM 0 HA ALA A 72 2.236 4.493 -12.787 1.00 10.00 H new ATOM 0 HB1 ALA A 72 2.455 6.897 -13.276 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.762 6.358 -13.374 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.326 7.266 -11.951 1.00 10.00 H new ATOM 883 N ASP A 73 4.342 5.661 -11.726 1.00 10.00 N ATOM 884 CA ASP A 73 5.580 5.851 -10.977 1.00 10.00 C ATOM 885 C ASP A 73 5.590 7.195 -10.259 1.00 10.00 C ATOM 886 O ASP A 73 6.176 7.334 -9.188 1.00 10.00 O ATOM 887 CB ASP A 73 6.787 5.754 -11.910 1.00 10.00 C ATOM 888 CG ASP A 73 7.140 4.326 -12.274 1.00 10.00 C ATOM 889 OD1 ASP A 73 6.358 3.412 -11.954 1.00 10.00 O ATOM 890 OD2 ASP A 73 8.206 4.115 -12.896 1.00 10.00 O ATOM 0 H ASP A 73 4.447 5.735 -12.738 1.00 10.00 H new ATOM 0 HA ASP A 73 5.640 5.061 -10.228 1.00 10.00 H new ATOM 0 HB2 ASP A 73 6.581 6.315 -12.821 1.00 10.00 H new ATOM 0 HB3 ASP A 73 7.647 6.225 -11.433 1.00 10.00 H new ATOM 895 N ASN A 74 4.923 8.181 -10.842 1.00 10.00 N ATOM 896 CA ASN A 74 4.867 9.517 -10.259 1.00 10.00 C ATOM 897 C ASN A 74 3.660 9.666 -9.341 1.00 10.00 C ATOM 898 O ASN A 74 3.341 10.769 -8.888 1.00 10.00 O ATOM 899 CB ASN A 74 4.815 10.588 -11.355 1.00 10.00 C ATOM 900 CG ASN A 74 3.488 10.606 -12.098 1.00 10.00 C ATOM 901 OD1 ASN A 74 2.933 9.562 -12.439 1.00 10.00 O ATOM 902 ND2 ASN A 74 2.968 11.795 -12.353 1.00 10.00 N ATOM 0 H ASN A 74 4.412 8.082 -11.719 1.00 10.00 H new ATOM 0 HA ASN A 74 5.774 9.655 -9.670 1.00 10.00 H new ATOM 0 HB2 ASN A 74 4.990 11.567 -10.909 1.00 10.00 H new ATOM 0 HB3 ASN A 74 5.622 10.413 -12.066 1.00 10.00 H new ATOM 0 HD21 ASN A 74 2.079 11.867 -12.847 1.00 10.00 H new ATOM 0 HD22 ASN A 74 3.456 12.640 -12.055 1.00 10.00 H new ATOM 909 N HIS A 75 2.990 8.557 -9.066 1.00 10.00 N ATOM 910 CA HIS A 75 1.817 8.570 -8.206 1.00 10.00 C ATOM 911 C HIS A 75 2.220 8.728 -6.745 1.00 10.00 C ATOM 912 O HIS A 75 3.296 8.291 -6.330 1.00 10.00 O ATOM 913 CB HIS A 75 1.005 7.285 -8.383 1.00 10.00 C ATOM 914 CG HIS A 75 -0.166 7.419 -9.305 1.00 10.00 C ATOM 915 ND1 HIS A 75 -0.923 6.328 -9.660 1.00 10.00 N ATOM 916 CD2 HIS A 75 -0.675 8.521 -9.906 1.00 10.00 C ATOM 917 CE1 HIS A 75 -1.867 6.785 -10.462 1.00 10.00 C ATOM 918 NE2 HIS A 75 -1.757 8.106 -10.638 1.00 10.00 N ATOM 0 H HIS A 75 3.239 7.636 -9.426 1.00 10.00 H new ATOM 0 HA HIS A 75 1.200 9.421 -8.494 1.00 10.00 H new ATOM 0 HB2 HIS A 75 1.663 6.503 -8.761 1.00 10.00 H new ATOM 0 HB3 HIS A 75 0.648 6.957 -7.407 1.00 10.00 H new ATOM 0 HD2 HIS A 75 -0.301 9.531 -9.824 1.00 10.00 H new ATOM 0 HE1 HIS A 75 -2.630 6.171 -10.917 1.00 10.00 H new ATOM 0 HE2 HIS A 75 -2.364 8.694 -11.209 1.00 10.00 H new ATOM 926 N THR A 76 1.359 9.366 -5.974 1.00 10.00 N ATOM 927 CA THR A 76 1.614 9.572 -4.560 1.00 10.00 C ATOM 928 C THR A 76 0.371 9.222 -3.747 1.00 10.00 C ATOM 929 O THR A 76 -0.745 9.439 -4.209 1.00 10.00 O ATOM 930 CB THR A 76 2.029 11.030 -4.273 1.00 10.00 C ATOM 931 OG1 THR A 76 1.481 11.911 -5.266 1.00 10.00 O ATOM 932 CG2 THR A 76 3.544 11.168 -4.251 1.00 10.00 C ATOM 0 H THR A 76 0.474 9.752 -6.304 1.00 10.00 H new ATOM 0 HA THR A 76 2.436 8.918 -4.269 1.00 10.00 H new ATOM 0 HB THR A 76 1.637 11.303 -3.293 1.00 10.00 H new ATOM 0 HG1 THR A 76 1.751 12.833 -5.070 1.00 10.00 H new ATOM 0 HG21 THR A 76 3.812 12.205 -4.047 1.00 10.00 H new ATOM 0 HG22 THR A 76 3.957 10.526 -3.472 1.00 10.00 H new ATOM 0 HG23 THR A 76 3.950 10.872 -5.218 1.00 10.00 H new ATOM 940 N PRO A 77 0.542 8.670 -2.532 1.00 10.00 N ATOM 941 CA PRO A 77 -0.587 8.290 -1.659 1.00 10.00 C ATOM 942 C PRO A 77 -1.497 9.471 -1.310 1.00 10.00 C ATOM 943 O PRO A 77 -2.602 9.286 -0.794 1.00 10.00 O ATOM 944 CB PRO A 77 0.098 7.753 -0.396 1.00 10.00 C ATOM 945 CG PRO A 77 1.476 7.387 -0.822 1.00 10.00 C ATOM 946 CD PRO A 77 1.841 8.347 -1.917 1.00 10.00 C ATOM 0 HA PRO A 77 -1.242 7.569 -2.148 1.00 10.00 H new ATOM 0 HB2 PRO A 77 0.117 8.506 0.392 1.00 10.00 H new ATOM 0 HB3 PRO A 77 -0.433 6.889 0.002 1.00 10.00 H new ATOM 0 HG2 PRO A 77 2.175 7.462 0.011 1.00 10.00 H new ATOM 0 HG3 PRO A 77 1.514 6.357 -1.178 1.00 10.00 H new ATOM 0 HD2 PRO A 77 2.332 9.237 -1.524 1.00 10.00 H new ATOM 0 HD3 PRO A 77 2.525 7.896 -2.636 1.00 10.00 H new ATOM 954 N LYS A 78 -1.023 10.682 -1.588 1.00 10.00 N ATOM 955 CA LYS A 78 -1.788 11.889 -1.313 1.00 10.00 C ATOM 956 C LYS A 78 -2.930 12.042 -2.319 1.00 10.00 C ATOM 957 O LYS A 78 -3.963 12.635 -2.013 1.00 10.00 O ATOM 958 CB LYS A 78 -0.868 13.116 -1.347 1.00 10.00 C ATOM 959 CG LYS A 78 -1.568 14.430 -1.022 1.00 10.00 C ATOM 960 CD LYS A 78 -2.309 14.377 0.309 1.00 10.00 C ATOM 961 CE LYS A 78 -1.353 14.233 1.481 1.00 10.00 C ATOM 962 NZ LYS A 78 -2.072 14.028 2.765 1.00 10.00 N ATOM 0 H LYS A 78 -0.108 10.851 -2.006 1.00 10.00 H new ATOM 0 HA LYS A 78 -2.222 11.808 -0.317 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -0.054 12.966 -0.638 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.418 13.192 -2.337 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.832 15.234 -0.994 1.00 10.00 H new ATOM 0 HG3 LYS A 78 -2.273 14.670 -1.818 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -2.901 15.284 0.432 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -3.007 13.539 0.304 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -0.684 13.391 1.302 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -0.731 15.125 1.553 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -1.382 13.935 3.538 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -2.691 14.843 2.950 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -2.646 13.163 2.707 1.00 10.00 H new ATOM 976 N GLU A 79 -2.750 11.497 -3.512 1.00 10.00 N ATOM 977 CA GLU A 79 -3.780 11.578 -4.535 1.00 10.00 C ATOM 978 C GLU A 79 -4.579 10.283 -4.562 1.00 10.00 C ATOM 979 O GLU A 79 -4.220 9.323 -3.873 1.00 10.00 O ATOM 980 CB GLU A 79 -3.164 11.870 -5.907 1.00 10.00 C ATOM 981 CG GLU A 79 -2.331 10.729 -6.475 1.00 10.00 C ATOM 982 CD GLU A 79 -1.417 11.182 -7.591 1.00 10.00 C ATOM 983 OE1 GLU A 79 -1.916 11.463 -8.704 1.00 10.00 O ATOM 984 OE2 GLU A 79 -0.194 11.268 -7.355 1.00 10.00 O ATOM 0 H GLU A 79 -1.907 10.997 -3.794 1.00 10.00 H new ATOM 0 HA GLU A 79 -4.453 12.401 -4.294 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -3.964 12.105 -6.609 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.537 12.758 -5.829 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -1.734 10.287 -5.677 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.995 9.948 -6.847 1.00 10.00 H new ATOM 991 N LEU A 80 -5.659 10.269 -5.345 1.00 10.00 N ATOM 992 CA LEU A 80 -6.543 9.102 -5.475 1.00 10.00 C ATOM 993 C LEU A 80 -7.378 8.904 -4.210 1.00 10.00 C ATOM 994 O LEU A 80 -8.609 8.872 -4.267 1.00 10.00 O ATOM 995 CB LEU A 80 -5.746 7.828 -5.789 1.00 10.00 C ATOM 996 CG LEU A 80 -4.990 7.846 -7.117 1.00 10.00 C ATOM 997 CD1 LEU A 80 -3.903 6.784 -7.124 1.00 10.00 C ATOM 998 CD2 LEU A 80 -5.949 7.634 -8.278 1.00 10.00 C ATOM 0 H LEU A 80 -5.949 11.067 -5.910 1.00 10.00 H new ATOM 0 HA LEU A 80 -7.217 9.296 -6.310 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -5.031 7.658 -4.984 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -6.432 6.981 -5.791 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.519 8.822 -7.233 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -3.374 6.811 -8.077 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -3.200 6.977 -6.314 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -4.354 5.801 -6.986 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -5.394 7.650 -9.216 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -6.447 6.671 -8.167 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -6.694 8.429 -8.284 1.00 10.00 H new ATOM 1010 N GLY A 81 -6.708 8.786 -3.077 1.00 10.00 N ATOM 1011 CA GLY A 81 -7.397 8.603 -1.817 1.00 10.00 C ATOM 1012 C GLY A 81 -6.991 7.327 -1.120 1.00 10.00 C ATOM 1013 O GLY A 81 -7.796 6.409 -0.971 1.00 10.00 O ATOM 0 H GLY A 81 -5.691 8.814 -3.006 1.00 10.00 H new ATOM 0 HA2 GLY A 81 -7.189 9.452 -1.166 1.00 10.00 H new ATOM 0 HA3 GLY A 81 -8.473 8.592 -1.992 1.00 10.00 H new ATOM 1017 N MET A 82 -5.739 7.266 -0.693 1.00 10.00 N ATOM 1018 CA MET A 82 -5.225 6.090 -0.005 1.00 10.00 C ATOM 1019 C MET A 82 -5.283 6.287 1.503 1.00 10.00 C ATOM 1020 O MET A 82 -4.966 7.370 2.008 1.00 10.00 O ATOM 1021 CB MET A 82 -3.786 5.801 -0.438 1.00 10.00 C ATOM 1022 CG MET A 82 -3.675 5.262 -1.854 1.00 10.00 C ATOM 1023 SD MET A 82 -1.975 4.889 -2.328 1.00 10.00 S ATOM 1024 CE MET A 82 -2.238 4.161 -3.943 1.00 10.00 C ATOM 0 H MET A 82 -5.059 8.017 -0.811 1.00 10.00 H new ATOM 0 HA MET A 82 -5.850 5.238 -0.273 1.00 10.00 H new ATOM 0 HB2 MET A 82 -3.201 6.717 -0.360 1.00 10.00 H new ATOM 0 HB3 MET A 82 -3.345 5.081 0.252 1.00 10.00 H new ATOM 0 HG2 MET A 82 -4.279 4.359 -1.943 1.00 10.00 H new ATOM 0 HG3 MET A 82 -4.090 5.992 -2.549 1.00 10.00 H new ATOM 0 HE1 MET A 82 -1.282 3.842 -4.358 1.00 10.00 H new ATOM 0 HE2 MET A 82 -2.899 3.299 -3.850 1.00 10.00 H new ATOM 0 HE3 MET A 82 -2.693 4.898 -4.605 1.00 10.00 H new ATOM 1034 N GLU A 83 -5.702 5.253 2.214 1.00 10.00 N ATOM 1035 CA GLU A 83 -5.803 5.315 3.666 1.00 10.00 C ATOM 1036 C GLU A 83 -5.294 4.029 4.313 1.00 10.00 C ATOM 1037 O GLU A 83 -4.740 3.156 3.642 1.00 10.00 O ATOM 1038 CB GLU A 83 -7.256 5.568 4.078 1.00 10.00 C ATOM 1039 CG GLU A 83 -7.491 6.950 4.670 1.00 10.00 C ATOM 1040 CD GLU A 83 -6.865 7.113 6.041 1.00 10.00 C ATOM 1041 OE1 GLU A 83 -6.705 6.100 6.753 1.00 10.00 O ATOM 1042 OE2 GLU A 83 -6.551 8.260 6.427 1.00 10.00 O ATOM 0 H GLU A 83 -5.979 4.358 1.810 1.00 10.00 H new ATOM 0 HA GLU A 83 -5.178 6.138 4.014 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -7.899 5.441 3.207 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -7.554 4.814 4.807 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -7.083 7.704 3.997 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -8.563 7.133 4.740 1.00 10.00 H new ATOM 1049 N GLU A 84 -5.475 3.926 5.622 1.00 10.00 N ATOM 1050 CA GLU A 84 -5.046 2.756 6.371 1.00 10.00 C ATOM 1051 C GLU A 84 -5.979 1.584 6.083 1.00 10.00 C ATOM 1052 O GLU A 84 -7.192 1.769 5.959 1.00 10.00 O ATOM 1053 CB GLU A 84 -5.018 3.082 7.867 1.00 10.00 C ATOM 1054 CG GLU A 84 -4.717 1.894 8.767 1.00 10.00 C ATOM 1055 CD GLU A 84 -3.390 1.230 8.456 1.00 10.00 C ATOM 1056 OE1 GLU A 84 -2.395 1.950 8.226 1.00 10.00 O ATOM 1057 OE2 GLU A 84 -3.338 -0.019 8.451 1.00 10.00 O ATOM 0 H GLU A 84 -5.920 4.646 6.191 1.00 10.00 H new ATOM 0 HA GLU A 84 -4.040 2.474 6.062 1.00 10.00 H new ATOM 0 HB2 GLU A 84 -4.269 3.854 8.043 1.00 10.00 H new ATOM 0 HB3 GLU A 84 -5.982 3.502 8.152 1.00 10.00 H new ATOM 0 HG2 GLU A 84 -4.716 2.224 9.806 1.00 10.00 H new ATOM 0 HG3 GLU A 84 -5.516 1.159 8.667 1.00 10.00 H new ATOM 1064 N GLU A 85 -5.397 0.387 5.961 1.00 10.00 N ATOM 1065 CA GLU A 85 -6.151 -0.837 5.675 1.00 10.00 C ATOM 1066 C GLU A 85 -6.722 -0.800 4.261 1.00 10.00 C ATOM 1067 O GLU A 85 -7.705 -1.480 3.959 1.00 10.00 O ATOM 1068 CB GLU A 85 -7.275 -1.053 6.697 1.00 10.00 C ATOM 1069 CG GLU A 85 -6.778 -1.417 8.087 1.00 10.00 C ATOM 1070 CD GLU A 85 -6.460 -2.892 8.233 1.00 10.00 C ATOM 1071 OE1 GLU A 85 -5.561 -3.389 7.520 1.00 10.00 O ATOM 1072 OE2 GLU A 85 -7.094 -3.554 9.078 1.00 10.00 O ATOM 0 H GLU A 85 -4.392 0.240 6.057 1.00 10.00 H new ATOM 0 HA GLU A 85 -5.459 -1.676 5.752 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -7.874 -0.145 6.762 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -7.933 -1.844 6.338 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -5.885 -0.834 8.312 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -7.534 -1.139 8.822 1.00 10.00 H new ATOM 1079 N ASP A 86 -6.098 -0.006 3.396 1.00 10.00 N ATOM 1080 CA ASP A 86 -6.540 0.104 2.013 1.00 10.00 C ATOM 1081 C ASP A 86 -6.195 -1.165 1.253 1.00 10.00 C ATOM 1082 O ASP A 86 -5.227 -1.854 1.587 1.00 10.00 O ATOM 1083 CB ASP A 86 -5.899 1.309 1.331 1.00 10.00 C ATOM 1084 CG ASP A 86 -6.869 2.054 0.435 1.00 10.00 C ATOM 1085 OD1 ASP A 86 -7.635 1.393 -0.304 1.00 10.00 O ATOM 1086 OD2 ASP A 86 -6.871 3.304 0.473 1.00 10.00 O ATOM 0 H ASP A 86 -5.288 0.568 3.629 1.00 10.00 H new ATOM 0 HA ASP A 86 -7.621 0.242 2.010 1.00 10.00 H new ATOM 0 HB2 ASP A 86 -5.515 1.990 2.090 1.00 10.00 H new ATOM 0 HB3 ASP A 86 -5.046 0.976 0.740 1.00 10.00 H new ATOM 1091 N VAL A 87 -6.973 -1.462 0.227 1.00 10.00 N ATOM 1092 CA VAL A 87 -6.764 -2.664 -0.564 1.00 10.00 C ATOM 1093 C VAL A 87 -6.184 -2.335 -1.935 1.00 10.00 C ATOM 1094 O VAL A 87 -6.766 -1.566 -2.702 1.00 10.00 O ATOM 1095 CB VAL A 87 -8.084 -3.444 -0.748 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -7.843 -4.757 -1.480 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -8.745 -3.696 0.597 1.00 10.00 C ATOM 0 H VAL A 87 -7.757 -0.886 -0.079 1.00 10.00 H new ATOM 0 HA VAL A 87 -6.052 -3.283 -0.018 1.00 10.00 H new ATOM 0 HB VAL A 87 -8.755 -2.837 -1.356 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -8.788 -5.287 -1.597 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -7.417 -4.553 -2.463 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -7.151 -5.372 -0.905 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -9.674 -4.247 0.448 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -8.075 -4.279 1.228 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -8.961 -2.743 1.080 1.00 10.00 H new ATOM 1107 N ILE A 88 -5.035 -2.917 -2.234 1.00 10.00 N ATOM 1108 CA ILE A 88 -4.382 -2.711 -3.516 1.00 10.00 C ATOM 1109 C ILE A 88 -4.096 -4.065 -4.160 1.00 10.00 C ATOM 1110 O ILE A 88 -3.632 -4.994 -3.495 1.00 10.00 O ATOM 1111 CB ILE A 88 -3.087 -1.872 -3.370 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -2.440 -1.624 -4.735 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -2.105 -2.543 -2.422 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.311 -0.613 -4.693 1.00 10.00 C ATOM 0 H ILE A 88 -4.532 -3.540 -1.602 1.00 10.00 H new ATOM 0 HA ILE A 88 -5.051 -2.143 -4.162 1.00 10.00 H new ATOM 0 HB ILE A 88 -3.361 -0.907 -2.944 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.058 -2.568 -5.124 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -3.203 -1.277 -5.432 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -1.206 -1.933 -2.338 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -2.564 -2.650 -1.439 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -1.841 -3.527 -2.809 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -0.899 -0.486 -5.694 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -1.692 0.343 -4.334 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.530 -0.968 -4.021 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.401 -4.188 -5.443 1.00 10.00 N ATOM 1127 CA GLU A 89 -4.196 -5.447 -6.148 1.00 10.00 C ATOM 1128 C GLU A 89 -2.959 -5.391 -7.031 1.00 10.00 C ATOM 1129 O GLU A 89 -2.634 -4.345 -7.595 1.00 10.00 O ATOM 1130 CB GLU A 89 -5.420 -5.781 -7.001 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.745 -5.591 -6.278 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.910 -6.212 -7.020 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.008 -6.029 -8.253 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -8.731 -6.896 -6.373 1.00 10.00 O ATOM 0 H GLU A 89 -4.789 -3.438 -6.015 1.00 10.00 H new ATOM 0 HA GLU A 89 -4.050 -6.226 -5.400 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -5.411 -5.155 -7.893 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -5.345 -6.815 -7.337 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.677 -6.031 -5.283 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -6.931 -4.525 -6.144 1.00 10.00 H new ATOM 1141 N VAL A 90 -2.279 -6.521 -7.150 1.00 10.00 N ATOM 1142 CA VAL A 90 -1.083 -6.612 -7.972 1.00 10.00 C ATOM 1143 C VAL A 90 -1.212 -7.771 -8.962 1.00 10.00 C ATOM 1144 O VAL A 90 -1.493 -8.905 -8.577 1.00 10.00 O ATOM 1145 CB VAL A 90 0.193 -6.776 -7.108 1.00 10.00 C ATOM 1146 CG1 VAL A 90 0.089 -7.984 -6.184 1.00 10.00 C ATOM 1147 CG2 VAL A 90 1.434 -6.872 -7.984 1.00 10.00 C ATOM 0 H VAL A 90 -2.537 -7.391 -6.685 1.00 10.00 H new ATOM 0 HA VAL A 90 -0.986 -5.679 -8.526 1.00 10.00 H new ATOM 0 HB VAL A 90 0.283 -5.887 -6.483 1.00 10.00 H new ATOM 0 HG11 VAL A 90 1.001 -8.069 -5.593 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -0.765 -7.860 -5.518 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -0.043 -8.887 -6.780 1.00 10.00 H new ATOM 0 HG21 VAL A 90 2.316 -6.987 -7.354 1.00 10.00 H new ATOM 0 HG22 VAL A 90 1.346 -7.734 -8.646 1.00 10.00 H new ATOM 0 HG23 VAL A 90 1.529 -5.965 -8.580 1.00 10.00 H new ATOM 1157 N TYR A 91 -1.039 -7.470 -10.240 1.00 10.00 N ATOM 1158 CA TYR A 91 -1.144 -8.486 -11.281 1.00 10.00 C ATOM 1159 C TYR A 91 0.060 -8.431 -12.205 1.00 10.00 C ATOM 1160 O TYR A 91 0.724 -7.402 -12.307 1.00 10.00 O ATOM 1161 CB TYR A 91 -2.418 -8.283 -12.101 1.00 10.00 C ATOM 1162 CG TYR A 91 -3.694 -8.341 -11.296 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -4.326 -9.550 -11.048 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -4.271 -7.181 -10.793 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -5.498 -9.605 -10.323 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -5.442 -7.229 -10.066 1.00 10.00 C ATOM 1167 CZ TYR A 91 -6.052 -8.441 -9.834 1.00 10.00 C ATOM 1168 OH TYR A 91 -7.221 -8.490 -9.112 1.00 10.00 O ATOM 0 H TYR A 91 -0.826 -6.533 -10.583 1.00 10.00 H new ATOM 0 HA TYR A 91 -1.179 -9.461 -10.795 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -2.363 -7.317 -12.602 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -2.459 -9.044 -12.880 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -3.893 -10.463 -11.429 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -3.796 -6.228 -10.974 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -5.979 -10.554 -10.139 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -5.879 -6.320 -9.680 1.00 10.00 H new ATOM 0 HH TYR A 91 -7.595 -7.587 -9.033 1.00 10.00 H new ATOM 1178 N GLN A 92 0.338 -9.532 -12.878 1.00 10.00 N ATOM 1179 CA GLN A 92 1.458 -9.587 -13.801 1.00 10.00 C ATOM 1180 C GLN A 92 1.052 -9.009 -15.153 1.00 10.00 C ATOM 1181 O GLN A 92 -0.004 -9.354 -15.691 1.00 10.00 O ATOM 1182 CB GLN A 92 1.939 -11.028 -13.966 1.00 10.00 C ATOM 1183 CG GLN A 92 3.315 -11.145 -14.605 1.00 10.00 C ATOM 1184 CD GLN A 92 3.755 -12.582 -14.776 1.00 10.00 C ATOM 1185 OE1 GLN A 92 4.312 -13.189 -13.860 1.00 10.00 O ATOM 1186 NE2 GLN A 92 3.521 -13.135 -15.956 1.00 10.00 N ATOM 0 H GLN A 92 -0.194 -10.399 -12.804 1.00 10.00 H new ATOM 0 HA GLN A 92 2.276 -8.991 -13.395 1.00 10.00 H new ATOM 0 HB2 GLN A 92 1.960 -11.509 -12.988 1.00 10.00 H new ATOM 0 HB3 GLN A 92 1.218 -11.575 -14.574 1.00 10.00 H new ATOM 0 HG2 GLN A 92 3.303 -10.654 -15.578 1.00 10.00 H new ATOM 0 HG3 GLN A 92 4.043 -10.616 -13.990 1.00 10.00 H new ATOM 0 HE21 GLN A 92 3.057 -12.597 -16.688 1.00 10.00 H new ATOM 0 HE22 GLN A 92 3.805 -14.099 -16.133 1.00 10.00 H new ATOM 1195 N GLU A 93 1.880 -8.124 -15.686 1.00 10.00 N ATOM 1196 CA GLU A 93 1.612 -7.499 -16.973 1.00 10.00 C ATOM 1197 C GLU A 93 1.968 -8.442 -18.112 1.00 10.00 C ATOM 1198 O GLU A 93 2.825 -9.317 -17.961 1.00 10.00 O ATOM 1199 CB GLU A 93 2.401 -6.196 -17.113 1.00 10.00 C ATOM 1200 CG GLU A 93 1.746 -5.010 -16.424 1.00 10.00 C ATOM 1201 CD GLU A 93 0.535 -4.491 -17.179 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -0.436 -5.256 -17.360 1.00 10.00 O ATOM 1203 OE2 GLU A 93 0.543 -3.312 -17.590 1.00 10.00 O ATOM 0 H GLU A 93 2.748 -7.821 -15.245 1.00 10.00 H new ATOM 0 HA GLU A 93 0.547 -7.274 -17.023 1.00 10.00 H new ATOM 0 HB2 GLU A 93 3.399 -6.340 -16.700 1.00 10.00 H new ATOM 0 HB3 GLU A 93 2.524 -5.968 -18.172 1.00 10.00 H new ATOM 0 HG2 GLU A 93 1.445 -5.300 -15.417 1.00 10.00 H new ATOM 0 HG3 GLU A 93 2.476 -4.207 -16.319 1.00 10.00 H new ATOM 1210 N GLN A 94 1.323 -8.248 -19.253 1.00 10.00 N ATOM 1211 CA GLN A 94 1.562 -9.083 -20.424 1.00 10.00 C ATOM 1212 C GLN A 94 2.939 -8.805 -21.021 1.00 10.00 C ATOM 1213 O GLN A 94 3.444 -9.579 -21.833 1.00 10.00 O ATOM 1214 CB GLN A 94 0.482 -8.835 -21.477 1.00 10.00 C ATOM 1215 CG GLN A 94 0.291 -9.998 -22.435 1.00 10.00 C ATOM 1216 CD GLN A 94 -0.452 -9.602 -23.692 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -0.333 -8.473 -24.169 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -1.224 -10.525 -24.234 1.00 10.00 N ATOM 0 H GLN A 94 0.627 -7.516 -19.394 1.00 10.00 H new ATOM 0 HA GLN A 94 1.526 -10.126 -20.109 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -0.463 -8.629 -20.975 1.00 10.00 H new ATOM 0 HB3 GLN A 94 0.740 -7.943 -22.048 1.00 10.00 H new ATOM 0 HG2 GLN A 94 1.266 -10.404 -22.706 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -0.256 -10.794 -21.930 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -1.293 -11.448 -23.805 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -1.751 -10.315 -25.082 1.00 10.00 H new ATOM 1227 N THR A 95 3.543 -7.696 -20.611 1.00 10.00 N ATOM 1228 CA THR A 95 4.861 -7.319 -21.095 1.00 10.00 C ATOM 1229 C THR A 95 5.938 -8.189 -20.461 1.00 10.00 C ATOM 1230 O THR A 95 7.017 -8.371 -21.025 1.00 10.00 O ATOM 1231 CB THR A 95 5.164 -5.841 -20.783 1.00 10.00 C ATOM 1232 OG1 THR A 95 4.904 -5.574 -19.398 1.00 10.00 O ATOM 1233 CG2 THR A 95 4.320 -4.919 -21.647 1.00 10.00 C ATOM 0 H THR A 95 3.137 -7.041 -19.942 1.00 10.00 H new ATOM 0 HA THR A 95 4.864 -7.465 -22.175 1.00 10.00 H new ATOM 0 HB THR A 95 6.215 -5.654 -21.002 1.00 10.00 H new ATOM 0 HG1 THR A 95 5.100 -4.634 -19.204 1.00 10.00 H new ATOM 0 HG21 THR A 95 4.553 -3.882 -21.407 1.00 10.00 H new ATOM 0 HG22 THR A 95 4.537 -5.106 -22.699 1.00 10.00 H new ATOM 0 HG23 THR A 95 3.264 -5.107 -21.456 1.00 10.00 H new ATOM 1241 N GLY A 96 5.636 -8.719 -19.277 1.00 10.00 N ATOM 1242 CA GLY A 96 6.584 -9.555 -18.562 1.00 10.00 C ATOM 1243 C GLY A 96 7.632 -8.735 -17.833 1.00 10.00 C ATOM 1244 O GLY A 96 8.395 -9.261 -17.021 1.00 10.00 O ATOM 0 H GLY A 96 4.745 -8.582 -18.799 1.00 10.00 H new ATOM 0 HA2 GLY A 96 6.049 -10.178 -17.845 1.00 10.00 H new ATOM 0 HA3 GLY A 96 7.075 -10.228 -19.265 1.00 10.00 H new ATOM 1248 N GLY A 97 7.647 -7.441 -18.113 1.00 10.00 N ATOM 1249 CA GLY A 97 8.600 -6.546 -17.503 1.00 10.00 C ATOM 1250 C GLY A 97 8.580 -5.197 -18.177 1.00 10.00 C ATOM 1251 O GLY A 97 9.651 -4.562 -18.285 1.00 10.00 O ATOM 0 H GLY A 97 7.003 -6.991 -18.764 1.00 10.00 H new ATOM 0 HA2 GLY A 97 8.370 -6.431 -16.444 1.00 10.00 H new ATOM 0 HA3 GLY A 97 9.600 -6.974 -17.568 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASN B 357 -4.911 -15.409 5.703 1.00 10.00 N ATOM 1257 CA ASN B 357 -4.357 -15.453 7.078 1.00 10.00 C ATOM 1258 C ASN B 357 -2.832 -15.379 7.046 1.00 10.00 C ATOM 1259 O ASN B 357 -2.155 -15.821 7.974 1.00 10.00 O ATOM 1260 CB ASN B 357 -4.824 -16.727 7.795 1.00 10.00 C ATOM 1261 CG ASN B 357 -4.719 -16.629 9.309 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -5.599 -16.073 9.967 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -3.653 -17.180 9.878 1.00 10.00 N ATOM 0 HA ASN B 357 -4.726 -14.589 7.631 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -5.859 -16.933 7.521 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -4.228 -17.571 7.449 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -3.544 -17.151 10.892 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -2.944 -17.632 9.301 1.00 10.00 H new ATOM 1270 N ASN B 358 -2.279 -14.797 5.988 1.00 10.00 N ATOM 1271 CA ASN B 358 -0.831 -14.663 5.881 1.00 10.00 C ATOM 1272 C ASN B 358 -0.474 -13.197 5.833 1.00 10.00 C ATOM 1273 O ASN B 358 -0.980 -12.462 4.987 1.00 10.00 O ATOM 1274 CB ASN B 358 -0.301 -15.345 4.614 1.00 10.00 C ATOM 1275 CG ASN B 358 1.217 -15.458 4.599 1.00 10.00 C ATOM 1276 OD1 ASN B 358 1.910 -14.872 5.431 1.00 10.00 O ATOM 1277 ND2 ASN B 358 1.749 -16.209 3.649 1.00 10.00 N ATOM 0 H ASN B 358 -2.803 -14.415 5.201 1.00 10.00 H new ATOM 0 HA ASN B 358 -0.377 -15.143 6.748 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -0.736 -16.341 4.533 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -0.628 -14.782 3.740 1.00 10.00 H new ATOM 0 HD21 ASN B 358 2.762 -16.316 3.591 1.00 10.00 H new ATOM 0 HD22 ASN B 358 1.147 -16.681 2.975 1.00 10.00 H new ATOM 1284 N ARG B 359 0.389 -12.768 6.739 1.00 10.00 N ATOM 1285 CA ARG B 359 0.803 -11.375 6.778 1.00 10.00 C ATOM 1286 C ARG B 359 2.316 -11.237 6.658 1.00 10.00 C ATOM 1287 O ARG B 359 3.077 -11.884 7.383 1.00 10.00 O ATOM 1288 CB ARG B 359 0.302 -10.687 8.057 1.00 10.00 C ATOM 1289 CG ARG B 359 0.570 -11.453 9.344 1.00 10.00 C ATOM 1290 CD ARG B 359 0.004 -10.712 10.545 1.00 10.00 C ATOM 1291 NE ARG B 359 0.033 -11.529 11.760 1.00 10.00 N ATOM 1292 CZ ARG B 359 -0.376 -11.103 12.957 1.00 10.00 C ATOM 1293 NH1 ARG B 359 -0.845 -9.872 13.108 1.00 10.00 N ATOM 1294 NH2 ARG B 359 -0.321 -11.913 14.006 1.00 10.00 N ATOM 0 H ARG B 359 0.814 -13.360 7.453 1.00 10.00 H new ATOM 0 HA ARG B 359 0.352 -10.879 5.919 1.00 10.00 H new ATOM 0 HB2 ARG B 359 0.770 -9.706 8.131 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -0.772 -10.522 7.967 1.00 10.00 H new ATOM 0 HG2 ARG B 359 0.124 -12.445 9.281 1.00 10.00 H new ATOM 0 HG3 ARG B 359 1.643 -11.594 9.471 1.00 10.00 H new ATOM 0 HD2 ARG B 359 0.576 -9.799 10.709 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -1.023 -10.412 10.335 1.00 10.00 H new ATOM 0 HE ARG B 359 0.388 -12.483 11.687 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -0.895 -9.243 12.306 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -1.156 -9.554 14.026 1.00 10.00 H new ATOM 0 HH21 ARG B 359 0.034 -12.863 13.899 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -0.634 -11.586 14.920 1.00 10.00 H new ATOM 1308 N ASP B 360 2.737 -10.402 5.726 1.00 10.00 N ATOM 1309 CA ASP B 360 4.153 -10.123 5.509 1.00 10.00 C ATOM 1310 C ASP B 360 4.377 -8.624 5.667 1.00 10.00 C ATOM 1311 O ASP B 360 3.671 -7.841 5.038 1.00 10.00 O ATOM 1312 CB ASP B 360 4.594 -10.583 4.115 1.00 10.00 C ATOM 1313 CG ASP B 360 6.055 -10.271 3.831 1.00 10.00 C ATOM 1314 OD1 ASP B 360 6.382 -9.837 2.701 1.00 10.00 O ATOM 1315 OD2 ASP B 360 6.892 -10.468 4.729 1.00 10.00 O ATOM 0 H ASP B 360 2.112 -9.897 5.097 1.00 10.00 H new ATOM 0 HA ASP B 360 4.748 -10.670 6.240 1.00 10.00 H new ATOM 0 HB2 ASP B 360 4.431 -11.657 4.022 1.00 10.00 H new ATOM 0 HB3 ASP B 360 3.970 -10.100 3.363 1.00 10.00 H new ATOM 1320 N PRO B 361 5.369 -8.185 6.466 1.00 10.00 N ATOM 1321 CA PRO B 361 5.607 -6.769 6.661 1.00 10.00 C ATOM 1322 C PRO B 361 6.881 -6.260 5.998 1.00 10.00 C ATOM 1323 O PRO B 361 7.981 -6.777 6.195 1.00 10.00 O ATOM 1324 CB PRO B 361 5.772 -6.709 8.184 1.00 10.00 C ATOM 1325 CG PRO B 361 6.275 -8.070 8.594 1.00 10.00 C ATOM 1326 CD PRO B 361 6.188 -8.976 7.382 1.00 10.00 C ATOM 0 HA PRO B 361 4.815 -6.156 6.231 1.00 10.00 H new ATOM 0 HB2 PRO B 361 6.477 -5.928 8.471 1.00 10.00 H new ATOM 0 HB3 PRO B 361 4.825 -6.478 8.672 1.00 10.00 H new ATOM 0 HG2 PRO B 361 7.303 -8.006 8.951 1.00 10.00 H new ATOM 0 HG3 PRO B 361 5.677 -8.468 9.413 1.00 10.00 H new ATOM 0 HD2 PRO B 361 7.171 -9.194 6.965 1.00 10.00 H new ATOM 0 HD3 PRO B 361 5.724 -9.933 7.621 1.00 10.00 H new ATOM 1334 N ILE B 362 6.693 -5.207 5.215 1.00 10.00 N ATOM 1335 CA ILE B 362 7.764 -4.552 4.481 1.00 10.00 C ATOM 1336 C ILE B 362 7.862 -3.105 4.927 1.00 10.00 C ATOM 1337 O ILE B 362 6.842 -2.437 5.108 1.00 10.00 O ATOM 1338 CB ILE B 362 7.555 -4.579 2.954 1.00 10.00 C ATOM 1339 CG1 ILE B 362 6.796 -5.838 2.523 1.00 10.00 C ATOM 1340 CG2 ILE B 362 8.899 -4.486 2.236 1.00 10.00 C ATOM 1341 CD1 ILE B 362 6.499 -5.877 1.044 1.00 10.00 C ATOM 0 H ILE B 362 5.779 -4.778 5.070 1.00 10.00 H new ATOM 0 HA ILE B 362 8.679 -5.103 4.699 1.00 10.00 H new ATOM 0 HB ILE B 362 6.950 -3.716 2.676 1.00 10.00 H new ATOM 0 HG12 ILE B 362 7.381 -6.717 2.793 1.00 10.00 H new ATOM 0 HG13 ILE B 362 5.859 -5.897 3.077 1.00 10.00 H new ATOM 0 HG21 ILE B 362 8.738 -4.506 1.158 1.00 10.00 H new ATOM 0 HG22 ILE B 362 9.395 -3.555 2.511 1.00 10.00 H new ATOM 0 HG23 ILE B 362 9.525 -5.330 2.525 1.00 10.00 H new ATOM 0 HD11 ILE B 362 5.960 -6.794 0.805 1.00 10.00 H new ATOM 0 HD12 ILE B 362 5.888 -5.016 0.773 1.00 10.00 H new ATOM 0 HD13 ILE B 362 7.434 -5.849 0.484 1.00 10.00 H new ATOM 1353 N VAL B 363 9.072 -2.629 5.127 1.00 10.00 N ATOM 1354 CA VAL B 363 9.288 -1.273 5.577 1.00 10.00 C ATOM 1355 C VAL B 363 9.985 -0.472 4.488 1.00 10.00 C ATOM 1356 O VAL B 363 10.933 -0.936 3.849 1.00 10.00 O ATOM 1357 CB VAL B 363 10.116 -1.223 6.873 1.00 10.00 C ATOM 1358 CG1 VAL B 363 9.962 0.125 7.555 1.00 10.00 C ATOM 1359 CG2 VAL B 363 9.720 -2.350 7.815 1.00 10.00 C ATOM 0 H VAL B 363 9.927 -3.167 4.983 1.00 10.00 H new ATOM 0 HA VAL B 363 8.312 -0.836 5.790 1.00 10.00 H new ATOM 0 HB VAL B 363 11.165 -1.356 6.609 1.00 10.00 H new ATOM 0 HG11 VAL B 363 10.555 0.140 8.469 1.00 10.00 H new ATOM 0 HG12 VAL B 363 10.307 0.913 6.886 1.00 10.00 H new ATOM 0 HG13 VAL B 363 8.913 0.291 7.800 1.00 10.00 H new ATOM 0 HG21 VAL B 363 10.320 -2.293 8.723 1.00 10.00 H new ATOM 0 HG22 VAL B 363 8.664 -2.257 8.070 1.00 10.00 H new ATOM 0 HG23 VAL B 363 9.892 -3.309 7.327 1.00 10.00 H new ATOM 1369 N ILE B 364 9.484 0.728 4.296 1.00 10.00 N ATOM 1370 CA ILE B 364 9.951 1.635 3.266 1.00 10.00 C ATOM 1371 C ILE B 364 10.627 2.855 3.869 1.00 10.00 C ATOM 1372 O ILE B 364 10.254 3.338 4.947 1.00 10.00 O ATOM 1373 CB ILE B 364 8.812 2.071 2.308 1.00 10.00 C ATOM 1374 CG1 ILE B 364 9.376 2.289 0.901 1.00 10.00 C ATOM 1375 CG2 ILE B 364 8.108 3.337 2.794 1.00 10.00 C ATOM 1376 CD1 ILE B 364 9.777 1.008 0.197 1.00 10.00 C ATOM 0 H ILE B 364 8.726 1.110 4.861 1.00 10.00 H new ATOM 0 HA ILE B 364 10.686 1.085 2.678 1.00 10.00 H new ATOM 0 HB ILE B 364 8.070 1.273 2.288 1.00 10.00 H new ATOM 0 HG12 ILE B 364 8.631 2.806 0.297 1.00 10.00 H new ATOM 0 HG13 ILE B 364 10.245 2.944 0.965 1.00 10.00 H new ATOM 0 HG21 ILE B 364 7.318 3.606 2.093 1.00 10.00 H new ATOM 0 HG22 ILE B 364 7.675 3.157 3.778 1.00 10.00 H new ATOM 0 HG23 ILE B 364 8.829 4.152 2.858 1.00 10.00 H new ATOM 0 HD11 ILE B 364 10.167 1.244 -0.793 1.00 10.00 H new ATOM 0 HD12 ILE B 364 10.546 0.499 0.778 1.00 10.00 H new ATOM 0 HD13 ILE B 364 8.907 0.359 0.099 1.00 10.00 H new HETATM 1388 N SEP B 365 11.645 3.321 3.172 1.00 10.00 N HETATM 1389 CA SEP B 365 12.439 4.449 3.600 1.00 10.00 C HETATM 1390 CB SEP B 365 13.928 4.150 3.410 1.00 10.00 C HETATM 1391 OG SEP B 365 14.154 3.505 2.165 1.00 10.00 O HETATM 1392 C SEP B 365 12.036 5.656 2.776 1.00 10.00 C HETATM 1393 O SEP B 365 11.831 5.566 1.563 1.00 10.00 O HETATM 1394 P SEP B 365 15.360 3.969 1.220 1.00 10.00 P HETATM 1395 O1P SEP B 365 15.482 3.178 -0.021 1.00 10.00 O HETATM 1396 O2P SEP B 365 16.634 4.177 1.931 1.00 10.00 O HETATM 1397 O3P SEP B 365 14.960 5.432 0.712 1.00 10.00 O HETATM 0 HB3 SEP B 365 14.499 5.077 3.454 1.00 10.00 H new HETATM 0 HB2 SEP B 365 14.284 3.517 4.223 1.00 10.00 H new HETATM 0 HA SEP B 365 12.266 4.647 4.658 1.00 10.00 H new HETATM 0 H SEP B 365 12.102 2.485 2.808 1.00 10.00 H new ATOM 1402 N ASP B 366 11.892 6.774 3.462 1.00 10.00 N ATOM 1403 CA ASP B 366 11.406 7.990 2.857 1.00 10.00 C ATOM 1404 C ASP B 366 12.507 9.030 2.750 1.00 10.00 C ATOM 1405 O ASP B 366 13.227 9.319 3.711 1.00 10.00 O ATOM 1406 CB ASP B 366 10.251 8.505 3.722 1.00 10.00 C ATOM 1407 CG ASP B 366 9.783 9.897 3.372 1.00 10.00 C ATOM 1408 OD1 ASP B 366 9.895 10.796 4.236 1.00 10.00 O ATOM 1409 OD2 ASP B 366 9.255 10.087 2.262 1.00 10.00 O ATOM 0 H ASP B 366 12.110 6.860 4.455 1.00 10.00 H new ATOM 0 HA ASP B 366 11.063 7.792 1.841 1.00 10.00 H new ATOM 0 HB2 ASP B 366 9.410 7.818 3.630 1.00 10.00 H new ATOM 0 HB3 ASP B 366 10.561 8.491 4.767 1.00 10.00 H new HETATM 1414 N SEP B 367 12.630 9.551 1.540 1.00 10.00 N HETATM 1415 CA SEP B 367 13.629 10.537 1.196 1.00 10.00 C HETATM 1416 CB SEP B 367 13.822 10.503 -0.321 1.00 10.00 C HETATM 1417 OG SEP B 367 13.835 9.159 -0.781 1.00 10.00 O HETATM 1418 C SEP B 367 13.229 11.932 1.663 1.00 10.00 C HETATM 1419 O SEP B 367 12.214 12.473 1.232 1.00 10.00 O HETATM 1420 P SEP B 367 14.090 8.816 -2.319 1.00 10.00 P HETATM 1421 O1P SEP B 367 13.851 9.937 -3.249 1.00 10.00 O HETATM 1422 O2P SEP B 367 15.344 8.087 -2.565 1.00 10.00 O HETATM 1423 O3P SEP B 367 12.958 7.755 -2.677 1.00 10.00 O HETATM 0 HB3 SEP B 367 13.020 11.055 -0.810 1.00 10.00 H new HETATM 0 HB2 SEP B 367 14.757 10.996 -0.588 1.00 10.00 H new HETATM 0 HA SEP B 367 14.565 10.299 1.702 1.00 10.00 H new HETATM 0 H SEP B 367 12.197 8.987 0.809 1.00 10.00 H new ATOM 1428 N PRO B 368 14.023 12.513 2.574 1.00 10.00 N ATOM 1429 CA PRO B 368 13.780 13.853 3.108 1.00 10.00 C ATOM 1430 C PRO B 368 14.146 14.944 2.103 1.00 10.00 C ATOM 1431 O PRO B 368 13.249 15.718 1.702 1.00 10.00 O ATOM 1432 CB PRO B 368 14.696 13.914 4.333 1.00 10.00 C ATOM 1433 CG PRO B 368 15.799 12.956 4.046 1.00 10.00 C ATOM 1434 CD PRO B 368 15.220 11.884 3.166 1.00 10.00 C ATOM 0 HA PRO B 368 12.729 14.023 3.341 1.00 10.00 H new ATOM 0 HB2 PRO B 368 15.081 14.922 4.487 1.00 10.00 H new ATOM 0 HB3 PRO B 368 14.159 13.636 5.240 1.00 10.00 H new ATOM 0 HG2 PRO B 368 16.629 13.459 3.549 1.00 10.00 H new ATOM 0 HG3 PRO B 368 16.191 12.529 4.969 1.00 10.00 H new ATOM 0 HD2 PRO B 368 15.928 11.573 2.398 1.00 10.00 H new ATOM 0 HD3 PRO B 368 14.961 10.994 3.740 1.00 10.00 H new TER 1442 PRO B 368